Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.M3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.51 K 0.2 M 0.13 R 0.13 C Shift Assignments>> C :: 173.796 CA :: 53.397 CB :: 29.907 CG :: 29.736 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> HA :: 4.361 HB2 :: 1.891 HB3 :: 1.978 HG2 :: 2.390 HG3 :: 2.352 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) 1.S4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.088 CA :: 56.455 CB :: 61.625 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.369 HA :: 4.240 HB2 :: 3.742 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 117.011 Ave N Shift Values>> N :: 116.28(3.52) 1.S5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 171.838 CA :: 56.846 CB :: 61.378 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.214 HA :: 4.388 HB2 :: 3.833 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 116.966 Ave N Shift Values>> N :: 116.28(3.52) 1.K6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 A 0.45 L 0.03 C Shift Assignments>> C :: 175.889 CA :: 52.445 CB :: 29.890 CG :: 22.352 CE :: 40.228 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.308 HA :: 4.418 HB2 :: 1.576 HB3 :: 1.888 HG2 :: 1.339 HE2 :: 2.854 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.255 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.84 I 0.15 C Shift Assignments>> C :: 174.740 CA :: 63.442 CB :: 36.820 CG1 :: 24.066 CG2 :: 14.496 CD1 :: 12.284 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.555 HA :: 3.536 HB :: 1.058 HG12 :: 0.586 HG13 :: 0.491 HG21 :: 0.053 HG22 :: 0.053 HG23 :: 0.053 HD11 :: -0.077 HD12 :: -0.077 HD13 :: -0.077 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 118.751 Ave N Shift Values>> N :: 121.46(4.28) 1.F8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.23 M 0.22 E 0.16 Q 0.12 K 0.1 N 0.04 Y 0.03 H 0.01 F 0.01 R 0.01 C Shift Assignments>> C :: 172.313 CA :: 54.675 CB :: 35.252 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.264 HA :: 4.799 HB2 :: 2.310 HB3 :: 3.265 HD1 :: 6.715 HE1 :: 6.916 HZ :: 6.027 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 113.476 Ave N Shift Values>> N :: 120.45(4.18) 1.K9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.77 A 0.09 V 0.07 K 0.02 M 0.01 C Shift Assignments>> C :: 175.133 CA :: 56.195 CB :: 30.219 CG :: 21.839 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.266 HA :: 4.046 HB2 :: 1.713 HB3 :: 1.866 HG2 :: 1.377 HE2 :: 2.926 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 119.498 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.N10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.26 M 0.23 N 0.12 E 0.1 Q 0.1 K 0.08 Y 0.02 H 0.01 F 0.01 R 0.01 C Shift Assignments>> C :: 173.189 CA :: 53.160 CB :: 35.298 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.901 HA :: 4.471 HB2 :: 3.043 HD21 :: 7.039 HD22 :: 7.692 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 116.662 ND2 :: 113.923 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.C11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.22 L 0.15 C 0.15 Q 0.11 W 0.08 H 0.07 I 0.06 E 0.05 K 0.05 C Shift Assignments>> C :: 172.609 CA :: 57.344 CB :: 27.156 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.388 HA :: 5.044 HB2 :: 2.519 HB3 :: 3.206 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 117.862 Ave N Shift Values>> N :: 120.17(4.64) 1.V12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.9 V 0.08 I 0.01 C Shift Assignments>> C :: 172.605 CA :: 60.153 CB :: 30.829 CG1 :: 19.165 CG2 :: 18.199 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.793 HA :: 4.306 HB :: 2.201 HG11 :: 0.571 HG12 :: 0.571 HG13 :: 0.571 HG21 :: 0.717 HG22 :: 0.717 HG23 :: 0.717 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 128.402 Ave N Shift Values>> N :: 121.14(4.54) 1.I13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.52 C 0.45 A 0.01 C Shift Assignments>> C :: 171.715 CA :: 58.195 CB :: 39.029 CG1 :: 27.297 CG2 :: 17.473 CD1 :: 12.071 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.778 HA :: 5.093 HB :: 1.557 HG12 :: 1.087 HG13 :: 1.394 HG21 :: 0.683 HG22 :: 0.683 HG23 :: 0.683 HD11 :: 0.515 HD12 :: 0.515 HD13 :: 0.515 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 127.996 Ave N Shift Values>> N :: 121.46(4.28) 1.Y14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.34 N 0.18 L 0.18 F 0.09 Y 0.07 C 0.06 K 0.04 C Shift Assignments>> C :: 170.727 CA :: 53.785 CB :: 40.708 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 7.992 HA :: 4.960 HB2 :: 2.386 HB3 :: 2.665 HD1 :: 6.690 HE1 :: 6.685 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 125.225 Ave N Shift Values>> N :: 120.52(4.2) 1.I15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.87 I 0.1 A 0.02 C Shift Assignments>> C :: 171.553 CA :: 57.604 CB :: 34.826 CG1 :: 25.502 CG2 :: 16.078 CD1 :: 12.310 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.517 HA :: 4.287 HB :: 1.444 HG12 :: 1.239 HG13 :: 0.805 HG21 :: 0.404 HG22 :: 0.404 HG23 :: 0.404 HD11 :: 0.512 HD12 :: 0.512 HD13 :: 0.512 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 127.791 Ave N Shift Values>> N :: 121.46(4.28) 1.N16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.36 N 0.35 L 0.12 C 0.07 F 0.03 Y 0.02 K 0.01 C Shift Assignments>> C :: 171.881 CA :: 50.670 CB :: 40.835 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.925 HA :: 4.571 HB2 :: 2.148 HB3 :: 2.649 HD21 :: 7.031 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 126.635 ND2 :: 112.419 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.G17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.34 L 0.3 D 0.08 K 0.07 F 0.06 Y 0.03 C 0.03 G 0.03 I 0.01 C Shift Assignments>> C :: 170.166 CA :: 42.971 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.602 HA2 :: 3.688 HA3 :: 3.919 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 113.364 Ave N Shift Values>> N :: 109.67(3.87) 1.Y18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.3 C 0.24 Y 0.12 M 0.09 F 0.07 I 0.03 N 0.03 K 0.03 Q 0.01 C Shift Assignments>> C :: 173.829 CA :: 56.722 CB :: 36.559 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.524 HA :: 4.375 HB2 :: 2.824 HB3 :: 2.914 HD1 :: 7.012 HE1 :: 6.701 HH :: 7.151 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 120.799 Ave N Shift Values>> N :: 120.52(4.2) 1.T19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 T 0.35 A 0.23 C Shift Assignments>> C :: 169.643 CA :: 57.870 CB :: 70.878 CG2 :: 19.506 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.202 HA :: 4.195 HB :: 3.737 HG1 :: 5.248 HG21 :: 0.676 HG22 :: 0.676 HG23 :: 0.676 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 117.301 Ave N Shift Values>> N :: 115.42(4.75) 1.K20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.92 K 0.04 M 0.02 C Shift Assignments>> CA :: 51.768 CB :: 32.581 CE :: 39.818 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.589 HA :: 3.962 HB2 :: 1.557 HB3 :: 1.501 HG2 :: 1.257 HG3 :: 1.114 HE2 :: 2.864 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.239 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.P21 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.91 G 0.07 C Shift Assignments>> C :: 172.746 CA :: 60.594 CB :: 32.368 CG :: 23.384(S) CD :: 47.798 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.511 HB2 :: 1.620 HB3 :: 2.317 HG2 :: 1.404 HG3 :: 1.714 HD2 :: 3.418 HD3 :: 3.021 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.G22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.31 R 0.29 K 0.1 D 0.09 F 0.07 Y 0.04 C 0.03 G 0.02 I 0.01 C Shift Assignments>> C :: 170.579 CA :: 42.838 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.249 HA2 :: 3.768 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.096 Ave N Shift Values>> N :: 109.67(3.87) 1.R23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.38 C 0.34 L 0.25 R 0.01 HN Overlap>> 1.K45 1.K45 C Shift Assignments>> C :: 174.090 CA :: 57.811 CB :: 28.188 CG :: 24.656 CD :: 41.252 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.745 HA :: 3.194 HB2 :: 1.375 HB3 :: 1.591 HG2 :: 0.871 HG3 :: 0.756 HD2 :: 3.036 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 118.697 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.L24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.67 A 0.21 L 0.1 C Shift Assignments>> C :: 177.285 CA :: 56.134 CB :: 38.689 CD1 :: 22.414 CD2 :: 21.251 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.086 HA :: 3.617 HB2 :: 1.349 HB3 :: 1.494 HG :: 1.490 HD11 :: 0.771 HD12 :: 0.771 HD13 :: 0.771 HD21 :: 0.712 HD22 :: 0.712 HD23 :: 0.712 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 116.445 Ave N Shift Values>> N :: 121.86(3.9) 1.Q25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 K 0.36 R 0.16 Q 0.07 C Shift Assignments>> C :: 177.004 CA :: 57.388 CB :: 25.703 CG :: 32.702 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.373 HA :: 3.887 HB2 :: 1.718 HB3 :: 2.057 HG2 :: 2.258 HG3 :: 2.299 HE21 :: 6.790 HE22 :: 7.435 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 118.199 NE2 :: 112.151 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.5 C 0.47 L 0.02 C Shift Assignments>> C :: 176.435 CA :: 55.622 CB :: 39.503 CG :: 24.104 CD1 :: 25.196 CD2 :: 20.014 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.083 HA :: 3.825 HB2 :: 1.573 HB3 :: 0.824 HG :: 1.386 HD11 :: 0.530 HD12 :: 0.530 HD13 :: 0.530 HD21 :: 0.536 HD22 :: 0.536 HD23 :: 0.536 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 118.897 Ave N Shift Values>> N :: 121.86(3.9) 1.H27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.29 R 0.22 C 0.13 Q 0.09 K 0.08 H 0.05 W 0.04 E 0.02 I 0.01 C Shift Assignments>> C :: 174.663 CA :: 55.634 CB :: 26.525 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.667 HA :: 3.655 HB2 :: 2.647 HB3 :: 2.161 HD1 :: 7.789 HD2 :: 5.650 HE1 :: 7.070 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 117.848 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.E28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 Q 0.27 K 0.14 R 0.11 E 0.06 I 0.02 C Shift Assignments>> C :: 176.360 CA :: 57.477 CB :: 27.217 CG :: 34.192 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.456 HA :: 3.883 HB2 :: 1.978 HG2 :: 2.257 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 116.737 Ave N Shift Values>> N :: 120.67(3.48) 1.M29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.59 M 0.39 C Shift Assignments>> C :: 175.917 CA :: 57.917 CB :: 32.175 CG :: 30.942 CE :: 15.612 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 7.747 HA :: 3.935 HB2 :: 2.107 HB3 :: 1.786 HG2 :: 2.517 HG3 :: 2.702 HE1 :: 1.904 HE2 :: 1.904 HE3 :: 1.904 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 117.289 Ave N Shift Values>> N :: 120.09(3.57) 1.I30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 I 0.49 C Shift Assignments>> C :: 175.849 CA :: 62.681 CB :: 35.792 CG1 :: 26.586 CG2 :: 15.557 CD1 :: 11.935 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.274 HA :: 3.182 HB :: 1.678 HG12 :: 0.064 HG13 :: 1.302 HG21 :: 0.401 HG22 :: 0.401 HG23 :: 0.401 HD11 :: 0.372 HD12 :: 0.372 HD13 :: 0.372 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 118.054 Ave N Shift Values>> N :: 121.46(4.28) 1.V31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.6 V 0.38 C Shift Assignments>> C :: 178.493 CA :: 63.138 CB :: 29.742 CG1 :: 19.308 CG2 :: 20.071 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.756 HA :: 3.921 HB :: 2.051 HG11 :: 0.985 HG12 :: 0.985 HG13 :: 0.985 HG21 :: 1.164 HG22 :: 1.164 HG23 :: 1.164 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 119.228 Ave N Shift Values>> N :: 121.14(4.54) 1.L32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 A 0.31 L 0.13 C Shift Assignments>> C :: 175.221 CA :: 55.123 CB :: 39.797 CG :: 24.769 CD1 :: 21.872 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.263 HA :: 3.990 HB2 :: 1.458 HG :: 1.222 HD11 :: 0.704 HD12 :: 0.704 HD13 :: 0.704 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.896 Ave N Shift Values>> N :: 121.86(3.9) 1.H33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.34 R 0.21 C 0.13 Q 0.1 H 0.07 W 0.05 K 0.03 E 0.02 C Shift Assignments>> C :: 172.998 CA :: 53.799 CB :: 26.951 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 7.238 HA :: 4.662 HB2 :: 2.971 HB3 :: 3.286 HE1 :: 7.695 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 113.000 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.G34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.76 L 0.13 C 0.03 R 0.03 F 0.01 C Shift Assignments>> C :: 172.412 CA :: 45.040 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.368 HA2 :: 3.892 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 104.290 Ave N Shift Values>> N :: 109.67(3.87) 1.G35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.3 K 0.23 D 0.13 F 0.09 R 0.08 Y 0.06 C 0.03 I 0.02 N 0.01 C Shift Assignments>> C :: 169.435 CA :: 42.170 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.648 HA2 :: 3.115 HA3 :: 4.583 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.271 Ave N Shift Values>> N :: 109.67(3.87) 1.K36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 M 0.26 Q 0.14 K 0.09 N 0.06 E 0.03 H 0.03 R 0.02 P 0.02 W 0.01 C Shift Assignments>> C :: 171.959 CA :: 52.112 CB :: 34.605 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.331 HA :: 4.516 HB2 :: 1.559 HB3 :: 1.690 HG2 :: 1.216 HG3 :: 1.321 HE2 :: 2.789 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 114.988 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.F37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.37 N 0.21 L 0.18 F 0.06 C 0.05 K 0.05 Y 0.04 C Shift Assignments>> C :: 171.251 CA :: 52.698 CB :: 41.003 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 7.881 HA :: 5.790 HB2 :: 2.212 HB3 :: 2.648 HD1 :: 6.992 HE1 :: 6.623 HZ :: 6.126 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 117.829 Ave N Shift Values>> N :: 120.45(4.18) 1.L38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.5 G 0.39 C 0.06 L 0.02 C Shift Assignments>> CA :: 50.619 CB :: 43.575 CG :: 24.688 CD2 :: 21.075 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.117 HA :: 4.506 HB2 :: 1.248 HB3 :: 1.477 HG :: 1.163 HD11 :: 0.607 HD12 :: 0.607 HD13 :: 0.607 HD21 :: 0.642 HD22 :: 0.642 HD23 :: 0.642 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.776 Ave N Shift Values>> N :: 121.86(3.9) 1.H39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> Q 0.15 K 0.15 H 0.13 W 0.12 E 0.12 C 0.11 R 0.11 M 0.03 I 0.01 L 0.01 C Shift Assignments>> C :: 172.382 CA :: 56.294 CB :: 29.170 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> HA :: 4.473 HB2 :: 3.034 HD2 :: 7.059 HE1 :: 7.784 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) 1.Y40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.47 D 0.12 C 0.12 Y 0.1 F 0.08 L 0.03 E 0.02 M 0.01 C Shift Assignments>> C :: 170.962 CA :: 53.805 CB :: 38.337 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 7.360 HA :: 4.603 HB2 :: 2.729 HB3 :: 3.013 HD1 :: 6.859 HE1 :: 6.723 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 114.685 Ave N Shift Values>> N :: 120.52(4.2) 1.L41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.62 C 0.33 L 0.03 C Shift Assignments>> C :: 173.810 CA :: 51.923 CB :: 38.976 CG :: 24.033 CD1 :: 22.298 CD2 :: 22.561 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.167 HA :: 3.819 HB2 :: 0.563 HB3 :: 1.193 HG :: 0.595 HD11 :: 0.260 HD12 :: 0.260 HD13 :: 0.260 HD21 :: 0.306 HD22 :: 0.306 HD23 :: 0.306 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 121.877 Ave N Shift Values>> N :: 121.86(3.9) 1.S42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 55.105 CB :: 62.540 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.668 HA :: 4.467 HB2 :: 3.880 HB3 :: 3.585 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 117.200 Ave N Shift Values>> N :: 116.28(3.52) 1.S43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 172.769 CA :: 57.305 CB :: 61.207 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> HA :: 4.300 HB2 :: 3.900 HB3 :: 3.796 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) 1.K44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.86 K 0.04 I 0.04 E 0.01 L 0.01 M 0.01 C Shift Assignments>> C :: 174.187 CA :: 54.755 CB :: 30.238 CE :: 39.885 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.184 HA :: 4.124 HB2 :: 1.591 HB3 :: 1.786 HE2 :: 2.799 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.870 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.87 K 0.06 I 0.01 M 0.01 HN Overlap>> 1.R23 1.R23 C Shift Assignments>> C :: 173.716 CA :: 53.943 CB :: 30.594 CE :: 39.948 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.745 HA :: 4.279 HB2 :: 1.656 HB3 :: 1.726 HE2 :: 2.781 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 118.697 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.T46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.46 C 0.4 S 0.12 C Shift Assignments>> C :: 171.768 CA :: 60.490 CB :: 67.718 CG2 :: 19.091 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.996 HA :: 4.085 HB :: 3.939 HG21 :: 1.014 HG22 :: 1.014 HG23 :: 1.014 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 114.642 Ave N Shift Values>> N :: 115.42(4.75) 1.V47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.78 V 0.21 C Shift Assignments>> C :: 172.549 CA :: 59.838 CB :: 30.700 CG1 :: 19.018 CG2 :: 20.778 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.626 HA :: 3.749 HB :: 1.763 HG11 :: 0.536 HG12 :: 0.536 HG13 :: 0.536 HG21 :: 0.648 HG22 :: 0.648 HG23 :: 0.648 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 122.534 Ave N Shift Values>> N :: 121.14(4.54) 1.T48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.48 C 0.41 T 0.08 C Shift Assignments>> C :: 173.721 CA :: 60.559 CB :: 67.069 CG2 :: 18.372 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 9.723 HA :: 4.246 HB :: 4.143 HG21 :: 1.283 HG22 :: 1.283 HG23 :: 1.283 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 116.610 Ave N Shift Values>> N :: 115.42(4.75) 1.H49 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> M 0.22 C 0.15 K 0.15 R 0.13 H 0.12 W 0.07 Q 0.07 E 0.05 C Shift Assignments>> C :: 170.551 CA :: 54.498 CB :: 32.212 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 7.533 HA :: 4.832 HB2 :: 2.309 HB3 :: 2.508 HD1 :: 9.495 HD2 :: 5.317(S) HE1 :: 7.787 HE2 :: 9.534 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 121.549 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.I50 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.98 I 0.01 C Shift Assignments>> C :: 172.205 CA :: 56.430 CB :: 37.023 CG1 :: 25.651 CG2 :: 14.016 CD1 :: 10.342 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.920 HA :: 4.882 HB :: 1.521 HG12 :: 0.890 HG13 :: 0.634 HG21 :: 0.381 HG22 :: 0.381 HG23 :: 0.381 HD11 :: -0.374(S) HD12 :: -0.374(S) HD13 :: -0.374(S) Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 122.673 Ave N Shift Values>> N :: 121.46(4.28) 1.V51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.79 A 0.16 V 0.04 C Shift Assignments>> C :: 171.810 CA :: 56.795 CB :: 30.766 CG1 :: 19.464 CG2 :: 18.920 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.767 HA :: 5.191 HB :: 1.584 HG11 :: 0.665 HG12 :: 0.665 HG13 :: 0.665 HG21 :: 0.688 HG22 :: 0.688 HG23 :: 0.688 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 127.041 Ave N Shift Values>> N :: 121.14(4.54) 1.A52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.69 G 0.23 C 0.04 L 0.01 C Shift Assignments>> C :: 172.364 CA :: 48.644 CB :: 21.045 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.919 HA :: 4.532 HB1 :: 1.234 HB2 :: 1.234 HB3 :: 1.234 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 127.327 Ave N Shift Values>> N :: 123.23(3.54) 1.S53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 171.899 CA :: 57.662 CB :: 62.806 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.211 HA :: 4.553 HB2 :: 3.816 HB3 :: 3.908 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 112.881 Ave N Shift Values>> N :: 116.28(3.52) 1.N54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.71 D 0.1 C 0.1 F 0.02 Y 0.02 L 0.01 C Shift Assignments>> C :: 170.718 CA :: 50.719 CB :: 38.422 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.851 HA :: 4.535 HB2 :: 2.655 HB3 :: 2.727 HD21 :: 7.577 HD22 :: 6.836 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 117.089 ND2 :: 113.746 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.44 G 0.24 C 0.12 A 0.11 K 0.06 C Shift Assignments>> CA :: 49.734 CB :: 42.291 CD1 :: 23.513 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.685 HA :: 4.676 HB2 :: 1.212 HB3 :: 1.434 HG :: 1.308 HD11 :: 0.742 HD12 :: 0.742 HD13 :: 0.742 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 121.852 Ave N Shift Values>> N :: 121.86(3.9) 1.P56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.95 P 0.02 G 0.01 C Shift Assignments>> C :: 174.840 CA :: 60.084 CB :: 30.240 CG :: 25.533 CD :: 48.670 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.484 HB2 :: 2.378 HB3 :: 1.836 HG2 :: 1.861 HG3 :: 1.986 HD2 :: 3.318 HD3 :: 3.808 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.L57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.73 L 0.16 A 0.09 C Shift Assignments>> C :: 176.432 CA :: 56.767 CB :: 39.367 CD1 :: 21.774 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.638 HA :: 3.805 HB2 :: 1.593 HG :: 1.508 HD11 :: 0.817 HD12 :: 0.817 HD13 :: 0.817 HD21 :: 0.786 HD22 :: 0.786 HD23 :: 0.786 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 124.640 Ave N Shift Values>> N :: 121.86(3.9) 1.K58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.93 K 0.03 L 0.02 C Shift Assignments>> C :: 176.702 CA :: 57.269 CB :: 30.094 CG :: 23.117 CE :: 39.913 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.674 HA :: 3.883 HB2 :: 1.668 HB3 :: 1.721 HG2 :: 1.307 HE2 :: 2.846 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 114.911 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K59 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 A 0.43 L 0.07 C Shift Assignments>> C :: 174.598 CA :: 53.558 CB :: 29.579 CG :: 21.864 CD :: 25.532 CE :: 39.872 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.117 HA :: 3.872 HB2 :: 1.332 HB3 :: 1.558 HG2 :: 1.150 HG3 :: 1.261 HD2 :: 1.331 HD3 :: 1.199 HE2 :: 2.716 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 116.157 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.R60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.34 C 0.34 K 0.24 R 0.05 C Shift Assignments>> C :: 176.788 CA :: 57.660 CB :: 27.439 CG :: 26.125 CD :: 41.577 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.873 HA :: 3.723 HB2 :: 1.828 HG2 :: 1.577 HG3 :: 1.446 HD2 :: 3.030 HD3 :: 3.158 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 120.014 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.I61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.8 I 0.19 C Shift Assignments>> C :: 176.565 CA :: 61.815 CB :: 35.545 CG1 :: 26.535 CG2 :: 15.154 CD1 :: 10.595 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.659 HA :: 3.720 HB :: 1.720 HG12 :: 1.065 HG13 :: 1.500 HG21 :: 0.773 HG22 :: 0.773 HG23 :: 0.773 HD11 :: 0.711 HD12 :: 0.711 HD13 :: 0.711 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 117.510 Ave N Shift Values>> N :: 121.46(4.28) 1.E62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 Q 0.28 K 0.16 R 0.15 E 0.03 M 0.01 I 0.01 C Shift Assignments>> CA :: 56.984 CB :: 27.332 CG :: 33.797 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.652 HA :: 3.847 HB2 :: 1.531 HB3 :: 1.730 HG2 :: 1.920 HG3 :: 2.138 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.343 Ave N Shift Values>> N :: 120.67(3.48) 1.F63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.31 M 0.24 Q 0.11 N 0.1 K 0.07 E 0.03 P 0.03 H 0.02 R 0.01 Y 0.01 HN Overlap>> 1.E80 1.E80 C Shift Assignments>> C :: 173.549 CA :: 51.785 CB :: 34.822 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 7.993 HA :: 4.974 HB2 :: 2.863 HB3 :: 3.468 HE1 :: 6.777 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 115.524 Ave N Shift Values>> N :: 120.45(4.18) 1.A64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.53 M 0.44 C 0.01 C Shift Assignments>> C :: 176.005 CA :: 53.365 CB :: 17.030 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.229 HA :: 4.081 HB1 :: 1.439 HB2 :: 1.439 HB3 :: 1.439 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.237 Ave N Shift Values>> N :: 123.23(3.54) 1.N65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.39 C 0.3 M 0.13 E 0.04 K 0.02 Q 0.02 Y 0.02 F 0.01 C Shift Assignments>> C :: 172.068 CA :: 51.264 CB :: 35.881 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.504 HA :: 4.515 HB2 :: 2.267 HB3 :: 2.542 HD21 :: 6.741 HD22 :: 7.261 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 112.339 ND2 :: 112.583 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.Y66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.37 D 0.16 Y 0.12 F 0.11 C 0.11 L 0.05 E 0.01 M 0.01 I 0.01 C Shift Assignments>> C :: 172.707 CA :: 54.346 CB :: 38.719 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 7.795 HA :: 4.451 HB2 :: 2.518 HD1 :: 6.721 HE1 :: 6.994 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 118.455 Ave N Shift Values>> N :: 120.52(4.2) 1.K67 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Suspicious N Shifts: Consistent PRTL>> A 0.53 C 0.45 C Shift Assignments>> C :: 172.137 CA :: 54.031 CB :: 30.170 CG :: 21.097(S) CD :: 26.343 CE :: 39.588 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.678 HA :: 3.699 HB2 :: 0.312(S) HB3 :: 1.071 HG2 :: -0.561(S) HG3 :: 0.519 HD2 :: 0.030(S) HD3 :: -0.534(S) HE2 :: 2.119(S) HE3 :: 2.213(S) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 121.154 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.88 V 0.09 A 0.01 C Shift Assignments>> C :: 173.973 CA :: 58.651 CB :: 30.049 CG1 :: 19.190 CG2 :: 19.793 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.287 HA :: 5.079 HB :: 1.972 HG11 :: 0.781 HG12 :: 0.781 HG13 :: 0.781 HG21 :: 0.741 HG22 :: 0.741 HG23 :: 0.741 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 125.859 Ave N Shift Values>> N :: 121.14(4.54) 1.V69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.69 A 0.29 C Shift Assignments>> C :: 171.728 CA :: 55.596 CB :: 34.485 CG1 :: 21.066 CG2 :: 17.193 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.301 HA :: 5.274 HB :: 2.156 HG11 :: 0.617 HG12 :: 0.617 HG13 :: 0.617 HG21 :: 0.645 HG22 :: 0.645 HG23 :: 0.645 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 120.107 Ave N Shift Values>> N :: 121.14(4.54) 1.S70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.84 P 0.08 C 0.06 C Shift Assignments>> CA :: 53.669 CB :: 61.556 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.307 HA :: 5.535 HB2 :: 4.041 HB3 :: 4.487 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 114.306 Ave N Shift Values>> N :: 116.28(3.52) 1.P71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.77 P 0.12 G 0.09 C Shift Assignments>> C :: 174.867 CA :: 62.989 CB :: 29.850 CG :: 26.013 CD :: 48.076 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.066 HB2 :: 1.945 HG2 :: 1.563 HG3 :: 2.063 HD2 :: 3.632 HD3 :: 3.940 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.D72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.35 C 0.19 E 0.12 Y 0.1 F 0.07 M 0.06 D 0.04 K 0.01 L 0.01 C Shift Assignments>> C :: 173.158 CA :: 54.215 CB :: 37.177 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.428 HA :: 4.129 HB2 :: 2.666 HB3 :: 2.798 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 115.459 Ave N Shift Values>> N :: 120.65(3.86) 1.W73 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.22 R 0.19 I 0.16 K 0.11 L 0.1 W 0.06 Q 0.06 H 0.03 E 0.02 C Shift Assignments>> C :: 176.150 CA :: 58.864 CB :: 26.327 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 7.785 HA :: 2.532(S) HB2 :: 2.746 HB3 :: 3.015 HD1 :: 7.176 HE1 :: 10.046 HE3 :: 6.856 HZ2 :: 6.683 HZ3 :: 5.941 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 120.972 NE1 :: 129.022 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) SRO Rule Breaks>> (HA > HB2 : 0.9942) (HA > HB3 : 0.9964) 1.I74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.93 I 0.06 C Shift Assignments>> C :: 174.388 CA :: 60.707 CB :: 34.663 CG1 :: 25.776 CG2 :: 14.564 CD1 :: 11.728 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 6.938 HA :: 3.129 HB :: 1.856 HG12 :: 0.678 HG13 :: 1.299 HG21 :: 0.461 HG22 :: 0.461 HG23 :: 0.461 HD11 :: 0.403 HD12 :: 0.403 HD13 :: 0.403 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 115.907 Ave N Shift Values>> N :: 121.46(4.28) 1.V75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.45 C 0.28 I 0.26 C Shift Assignments>> C :: 176.271 CA :: 64.494 CB :: 30.339 CG2 :: 19.260 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.000 HA :: 3.129 HB :: 1.769 HG11 :: 0.754 HG12 :: 0.754 HG13 :: 0.754 HG21 :: 0.746 HG22 :: 0.746 HG23 :: 0.746 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 116.657 Ave N Shift Values>> N :: 121.14(4.54) 1.D76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.22 E 0.21 N 0.2 Y 0.1 M 0.1 F 0.06 K 0.02 D 0.01 I 0.01 C Shift Assignments>> C :: 176.221 CA :: 54.833 CB :: 36.753 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 9.107 HA :: 4.211 HB2 :: 2.437 HB3 :: 2.618 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 119.574 Ave N Shift Values>> N :: 120.65(3.86) 1.S77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.983 CA :: 61.155 CB :: 60.253 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 6.986 HA :: 4.305 HB2 :: 3.515 HB3 :: 3.292 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 117.745 Ave N Shift Values>> N :: 116.28(3.52) 1.V78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.74 V 0.25 C Shift Assignments>> C :: 176.816 CA :: 64.489 CB :: 28.424 CG1 :: 19.040 CG2 :: 21.715 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.549 HA :: 2.818 HB :: 1.807 HG11 :: 0.493 HG12 :: 0.493 HG13 :: 0.493 HG21 :: 0.467 HG22 :: 0.467 HG23 :: 0.467 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 119.378 Ave N Shift Values>> N :: 121.14(4.54) 1.K79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.94 L 0.02 K 0.01 A 0.01 C Shift Assignments>> C :: 176.420 CA :: 57.710 CB :: 29.830 CG :: 22.617 CE :: 39.912 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.923 HA :: 3.804 HB3 :: 1.865 HE2 :: 2.801 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.606 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.33 C 0.33 K 0.13 R 0.13 E 0.04 M 0.01 HN Overlap>> 1.F63 1.F63 C Shift Assignments>> C :: 172.616 CA :: 54.308 CB :: 27.194 CG :: 34.234 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.005 HA :: 4.039 HB2 :: 1.752 HB3 :: 2.133 HG2 :: 2.269 HG3 :: 2.269 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 115.506 Ave N Shift Values>> N :: 120.67(3.48) 1.A81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.63 M 0.3 C 0.02 G 0.02 C Shift Assignments>> C :: 173.335 CA :: 50.052 CB :: 14.385 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.882 HA :: 3.607 HB1 :: 1.273 HB2 :: 1.273 HB3 :: 1.273 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.963 Ave N Shift Values>> N :: 123.23(3.54) 1.R82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.45 C 0.43 L 0.05 A 0.03 R 0.01 C Shift Assignments>> C :: 169.788 CA :: 52.821 CB :: 30.052 CG :: 24.207 CD :: 41.325 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.098 HA :: 4.101 HB2 :: 1.462 HB3 :: 1.562 HG2 :: 1.212 HG3 :: 1.123 HD2 :: 2.970 HD3 :: 3.005 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 115.328 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.L83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.47 C 0.38 L 0.13 HN Overlap>> 1.Q87 1.Q87 C Shift Assignments>> C :: 174.542 CA :: 52.835 CB :: 39.025 CG :: 24.567 CD1 :: 22.397 CD2 :: 23.846 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.252 HA :: 3.624 HB2 :: 1.745 HB3 :: 1.188 HG :: 1.506 HD11 :: 0.568 HD12 :: 0.568 HD13 :: 0.568 HD21 :: 0.950 HD22 :: 0.950 HD23 :: 0.950 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.459 Ave N Shift Values>> N :: 121.86(3.9) 1.L84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.65 L 0.21 A 0.13 C Shift Assignments>> CA :: 51.504 CB :: 38.224 CG :: 25.016 CD2 :: 24.050 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.864 HA :: 4.472 HB2 :: 1.595 HB3 :: 1.459 HG :: 1.773 HD11 :: 0.724 HD12 :: 0.724 HD13 :: 0.724 HD21 :: 0.844 HD22 :: 0.844 HD23 :: 0.844 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 132.624 Ave N Shift Values>> N :: 121.86(3.9) 1.P85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.91 P 0.05 G 0.02 C Shift Assignments>> C :: 176.585 CA :: 61.573 CB :: 29.201 CG :: 25.970 CD :: 48.658 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.490 HB2 :: 1.764 HB3 :: 2.196 HG2 :: 2.060 HG3 :: 1.973 HD2 :: 3.593 HD3 :: 3.807 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.W86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.4 L 0.31 C 0.17 R 0.03 I 0.02 Q 0.01 V 0.01 W 0.01 C Shift Assignments>> C :: 175.670 CA :: 57.371 CB :: 24.489 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 8.311 HA :: 3.559 HB2 :: 2.629 HB3 :: 2.525 HD1 :: 7.162 HE1 :: 10.239 HE3 :: 7.151 HZ3 :: 6.935 HH2 :: 7.304 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 127.849 NE1 :: 130.146 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.Q87 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.54 K 0.35 R 0.05 V 0.03 HN Overlap>> 1.L83 1.L83 C Shift Assignments>> C :: 175.881 CA :: 57.837 CB :: 24.226 CG :: 30.785 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.272 HA :: 2.824 HB2 :: 1.212(S) HB3 :: 1.148 HG2 :: 1.795 HG3 :: 0.390(S) HE21 :: 6.341 HE22 :: 7.255 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 120.414 NE2 :: 109.545 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.N88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.31 M 0.23 N 0.14 Q 0.1 K 0.06 E 0.05 H 0.01 P 0.01 Y 0.01 R 0.01 C Shift Assignments>> C :: 172.422 CA :: 51.895 CB :: 35.068 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.261 HA :: 4.227 HB2 :: 2.470 HB3 :: 2.734 HD21 :: 7.621 HD22 :: 6.881 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 116.204 ND2 :: 109.878 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.Y89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.24 C 0.18 Y 0.17 F 0.14 E 0.08 D 0.07 M 0.03 L 0.02 I 0.02 C Shift Assignments>> C :: 172.230 CA :: 55.307 CB :: 37.910 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 7.974 HA :: 4.534 HB2 :: 2.536 HB3 :: 3.766 HD1 :: 6.910 HE1 :: 6.712 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 118.093 Ave N Shift Values>> N :: 120.52(4.2) 1.S90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.926 CA :: 55.733 CB :: 62.126 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 6.955 HA :: 4.934 HB2 :: 3.889 HB3 :: 4.022 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 113.861 Ave N Shift Values>> N :: 116.28(3.52) 1.L91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.52 L 0.29 C 0.17 C Shift Assignments>> C :: 175.375 CA :: 53.146 CB :: 40.603 CG :: 25.711 CD1 :: 23.446 CD2 :: 21.275 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.693 HA :: 4.483 HB2 :: 1.391 HB3 :: 1.613 HG :: 1.589 HD11 :: 0.716 HD12 :: 0.716 HD13 :: 0.716 HD21 :: 0.753 HD22 :: 0.753 HD23 :: 0.753 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 125.660 Ave N Shift Values>> N :: 121.86(3.9) 1.T92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 T 0.32 S 0.18 A 0.04 C Shift Assignments>> C :: 171.545 CA :: 59.154 CB :: 67.577 CG2 :: 19.302 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.161 HA :: 4.383 HB :: 4.333 HG21 :: 1.095 HG22 :: 1.095 HG23 :: 1.095 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 112.004 Ave N Shift Values>> N :: 115.42(4.75) 1.S93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 57.884 CB :: 62.680 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.864 HA :: 4.188 HB3 :: 3.769 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 122.878 Ave N Shift Values>> N :: 116.28(3.52) ########################################################################### Overall Results: #Consistent: 86 #Clerical: 0 #Suspicious: 4 #Anomalous: 0 #Mistyped: 3 #Indeterminable: 0 Typing Results: #Consistent: 88 #Suspicious: 0 #Mistyped: 3 #Indeterminable: 2 Shift Relative Order (SRO) Results: #Consistent: 92 #Suspicious: 1 C Shift Results: #Consistent: 359 #Duplicate: 0 #Unknown: 0 #Suspicious: 2 #Anomalous: 0 H Shift Results: #Consistent: 611 #Duplicate: 0 #Unknown: 0 #Suspicious: 13 #Anomalous: 0 N Shift Results: #Consistent: 93 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.P21 Typing: Mistyped 1.P21 CG = 23.384(S), Expected = 27.17, Std = 1.0900, ChiSquare = 5.1392e-04 1.H49 HD2 = 5.317(S), Expected = 7.00, Std = 0.4300, ChiSquare = 9.0797e-05 1.I50 HD11 = -0.374(S), Expected = 0.68, Std = 0.2900, ChiSquare = 2.7854e-04 1.I50 HD12 = -0.374(S), Expected = 0.68, Std = 0.2900, ChiSquare = 2.7854e-04 1.I50 HD13 = -0.374(S), Expected = 0.68, Std = 0.2900, ChiSquare = 2.7854e-04 1.K59 Typing: Mistyped 1.K67 Typing: Mistyped 1.K67 CG = 21.097(S), Expected = 24.89, Std = 1.1300, ChiSquare = 7.8897e-04 1.K67 HB2 = 0.312(S), Expected = 1.78, Std = 0.2500, ChiSquare = 4.3057e-09 1.K67 HG2 = -0.561(S), Expected = 1.37, Std = 0.2600, ChiSquare = 1.1115e-13 1.K67 HD2 = 0.030(S), Expected = 1.61, Std = 0.2200, ChiSquare = 6.8790e-13 1.K67 HD3 = -0.534(S), Expected = 1.60, Std = 0.2200, ChiSquare = 3.0150e-22 1.K67 HE2 = 2.119(S), Expected = 2.92, Std = 0.1900, ChiSquare = 2.4891e-05 1.K67 HE3 = 2.213(S), Expected = 2.91, Std = 0.2000, ChiSquare = 4.9214e-04 1.W73 HA = 2.532(S), Expected = 4.68, Std = 0.5300, ChiSquare = 5.0602e-05 1.W73 SRO Rule Break>> HA > HB2 : 0.994219653179191 1.W73 SRO Rule Break>> HA > HB3 : 0.996420047732697 1.Q87 HB2 = 1.212(S), Expected = 2.05, Std = 0.2500, ChiSquare = 8.0230e-04 1.Q87 HG3 = 0.390(S), Expected = 2.29, Std = 0.2900, ChiSquare = 5.6877e-11