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.S2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G4 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S5 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.933 CA :: 58.760 CB :: 63.807 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.255 HA :: 4.530 HB2 :: 3.936 HB3 :: 3.936 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 115.824 Ave N Shift Values>> N :: 116.3(3.95) 1.G7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 L 0.12 R 0.05 C Shift Assignments>> C :: 173.847 CA :: 45.133 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.422 HA2 :: 4.060 HA3 :: 4.060 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.809 Ave N Shift Values>> N :: 109.91(4.29) 1.E8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.58 K 0.22 Q 0.14 I 0.02 C Shift Assignments>> C :: 174.362 CA :: 54.288 CB :: 29.649 CG :: 35.994 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.246 HA :: 4.680 HB2 :: 2.109 HB3 :: 1.920 HG2 :: 2.346 HG3 :: 2.320 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 121.851 Ave N Shift Values>> N :: 120.68(3.68) 1.P9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 176.174 CA :: 62.999 CB :: 32.664 CG :: 27.312 CD :: 50.546 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.763 HB2 :: 1.945 HB3 :: 1.714 HG2 :: 2.064 HG3 :: 2.064 HD2 :: 3.745 HD3 :: 3.902 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.I10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 175.114 CA :: 60.369 CB :: 40.899 CG1 :: 27.413 CG2 :: 18.028 CD1 :: 13.842 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.501 HA :: 4.252 HB :: 1.639 HG12 :: 1.575 HG13 :: 1.093 HG21 :: 0.835 HG22 :: 0.835 HG23 :: 0.835 HD11 :: 0.904 HD12 :: 0.904 HD13 :: 0.904 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 121.074 Ave N Shift Values>> N :: 121.6(4.72) 1.E11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.81 I 0.08 K 0.06 Q 0.03 C Shift Assignments>> C :: 174.898 CA :: 56.252 CB :: 30.998 CG :: 36.812 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.492 HA :: 4.650 HB2 :: 2.001 HB3 :: 1.859 HG2 :: 2.253 HG3 :: 2.121 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 125.030 Ave N Shift Values>> N :: 120.68(3.68) 1.A12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.44 P 0.33 K 0.09 A 0.07 R 0.02 G 0.01 C Shift Assignments>> C :: 174.897 CA :: 50.028 CB :: 24.022 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.557 HA :: 4.892 HB1 :: 0.915 HB2 :: 0.915 HB3 :: 0.915 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.926 Ave N Shift Values>> N :: 123.23(3.7) 1.I13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.9 A 0.08 C Shift Assignments>> C :: 176.044 CA :: 57.781 CB :: 41.209 CG1 :: 27.186 CG2 :: 17.144 CD1 :: 12.144 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.201 HA :: 5.098 HB :: 1.486 HG12 :: 1.271 HG13 :: 1.040 HG21 :: 0.722 HG22 :: 0.722 HG23 :: 0.722 HD11 :: 0.713 HD12 :: 0.713 HD13 :: 0.713 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 118.419 Ave N Shift Values>> N :: 121.6(4.72) 1.A14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.78 L 0.19 C Shift Assignments>> C :: 178.508 CA :: 52.380 CB :: 21.333 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.509 HA :: 4.419 HB1 :: 1.582 HB2 :: 1.582 HB3 :: 1.582 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 126.677 Ave N Shift Values>> N :: 123.23(3.7) 1.K15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.74 R 0.24 C Shift Assignments>> C :: 173.961 CA :: 57.392 CB :: 34.714 CG :: 24.659 CD :: 29.399 CE :: 41.687 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 9.451 HA :: 3.830 HB2 :: 1.103 HB3 :: 1.018 HG2 :: 0.769 HG3 :: 0.458 HD2 :: 1.271 HD3 :: 1.271 HE2 :: 2.672 HE3 :: 2.672 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 128.004 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.F16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.68 F 0.31 C Shift Assignments>> C :: 173.556 CA :: 54.194 CB :: 44.417 CD1 :: 132.338 CD2 :: 132.338 CE1 :: 130.766 CE2 :: 130.766 CZ :: 129.379 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 7.395 HA :: 4.976 HB2 :: 2.836 HB3 :: 3.607 HD1 :: 7.097 HD2 :: 7.097 HE1 :: 7.237 HE2 :: 7.237 HZ :: 7.237 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 111.644 Ave N Shift Values>> N :: 120.69(4.18) 1.D17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.25 D 0.24 K 0.19 R 0.09 F 0.08 Y 0.06 N 0.05 C Shift Assignments>> C :: 175.882 CA :: 54.705 CB :: 41.789 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.468 HA :: 4.744 HB2 :: 2.699 HB3 :: 2.638 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 117.937 Ave N Shift Values>> N :: 120.73(4.2) 1.Y18 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> Y 0.92 G 0.07 HN Overlap>> 1.L55 1.L55 C Shift Assignments>> C :: 173.683 CA :: 58.855 CB :: 42.612 CD1 :: 133.011 CD2 :: 133.011 CE1 :: 117.318 CE2 :: 117.318 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 8.694 HA :: 4.318 HB2 :: 2.088 HB3 :: 0.979(S) HD1 :: 6.534 HD2 :: 6.534 HE1 :: 6.759 HE2 :: 6.759 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 120.107 Ave N Shift Values>> N :: 120.79(4.69) 1.V19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 174.257 CA :: 60.437 CB :: 32.588 CG1 :: 20.653 CG2 :: 20.778 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 6.847 HA :: 3.788 HB :: 1.527 HG11 :: 0.720 HG12 :: 0.720 HG13 :: 0.720 HG21 :: 0.729 HG22 :: 0.729 HG23 :: 0.729 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 128.552 Ave N Shift Values>> N :: 121.02(4.96) 1.G20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.92 L 0.05 C Shift Assignments>> C :: 175.071 CA :: 46.594 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.431 HA2 :: 3.373 HA3 :: 3.985 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 113.506 Ave N Shift Values>> N :: 109.91(4.29) 1.R21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.63 K 0.24 G 0.11 C Shift Assignments>> C :: 176.834 CA :: 56.899 CB :: 31.937 CG :: 27.264 CD :: 43.421 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.796 HA :: 4.237 HB2 :: 2.027 HB3 :: 2.027 HG2 :: 1.720 HG3 :: 1.904 HD2 :: 3.317 HD3 :: 3.317 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 123.345 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.T22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.98 A 0.01 C Shift Assignments>> C :: 175.485 CA :: 59.560 CB :: 72.187 CG2 :: 21.183 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.165 HA :: 4.568 HB :: 4.376 HG21 :: 1.145 HG22 :: 1.145 HG23 :: 1.145 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 106.931 Ave N Shift Values>> N :: 115.7(5.05) 1.A23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> A 0.91 I 0.04 V 0.02 L 0.01 C Shift Assignments>> C :: 178.246 CA :: 54.884 CB :: 18.832 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.620 HA :: 4.149 HB1 :: 1.466 HB2 :: 1.466 HB3 :: 1.466 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) 1.R24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.6 K 0.32 G 0.06 C Shift Assignments>> C :: 176.799 CA :: 56.752 CB :: 30.687 CG :: 28.316 CD :: 43.062 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.987 HA :: 4.361 HB2 :: 1.707 HB3 :: 1.952 HG2 :: 1.629 HG3 :: 1.717 HD2 :: 3.266 HD3 :: 3.131 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 113.582 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.E25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.9 I 0.06 Q 0.01 K 0.01 C Shift Assignments>> C :: 176.250 CA :: 56.179 CB :: 32.427 CG :: 36.940 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.497 HA :: 4.588 HB2 :: 2.032 HB3 :: 2.624 HG2 :: 2.178 HG3 :: 2.049 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 118.578 Ave N Shift Values>> N :: 120.68(3.68) 1.L26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.63 R 0.2 G 0.08 A 0.08 C Shift Assignments>> C :: 174.666 CA :: 54.452 CB :: 43.084 CG :: 27.350 CD1 :: 26.054 CD2 :: 22.615 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.775 HA :: 4.571 HB2 :: 1.608 HB3 :: 1.922 HG :: 1.636 HD11 :: 0.953 HD12 :: 0.953 HD13 :: 0.953 HD21 :: 0.978 HD22 :: 0.978 HD23 :: 0.978 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 123.619 Ave N Shift Values>> N :: 121.98(4.07) 1.S27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 T 0.01 C Shift Assignments>> C :: 173.606 CA :: 57.156 CB :: 65.167 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.762 HA :: 4.865 HB2 :: 3.942 HB3 :: 3.727 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 111.132 Ave N Shift Values>> N :: 116.3(3.95) 1.F28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.99 C Shift Assignments>> C :: 173.509 CA :: 55.688 CB :: 39.179 CD1 :: 132.794 CD2 :: 132.794 CE1 :: 130.854 CE2 :: 130.854 CZ :: 128.386 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.291 HA :: 4.696 HB2 :: 2.300 HB3 :: 2.400 HD1 :: 6.640 HD2 :: 6.640 HE1 :: 7.351 HE2 :: 7.351 HZ :: 6.705 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 117.181 Ave N Shift Values>> N :: 120.69(4.18) 1.K29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.78 R 0.17 G 0.03 A 0.01 C Shift Assignments>> C :: 175.888 CA :: 53.446 CB :: 34.732 CG :: 24.625 CD :: 28.455 CE :: 42.156 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.503 HA :: 4.883 HB2 :: 1.763 HB3 :: 1.926 HG2 :: 1.479 HG3 :: 1.531 HD2 :: 1.699 HD3 :: 1.653 HE2 :: 3.050 HE3 :: 3.001 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 119.271 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.K30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.73 R 0.25 G 0.01 C Shift Assignments>> C :: 177.001 CA :: 58.759 CB :: 32.686 CG :: 24.333 CD :: 29.623 CE :: 42.068 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 9.304 HA :: 3.312 HB2 :: 1.703 HB3 :: 1.703 HG2 :: 1.183 HG3 :: 1.183 HD2 :: 1.708 HD3 :: 1.764 HE2 :: 3.027 HE3 :: 3.027 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 120.596 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.G31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.61 L 0.19 R 0.13 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> C :: 173.727 CA :: 44.694 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.844 HA2 :: 3.471 HA3 :: 4.380 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 115.264 Ave N Shift Values>> N :: 109.91(4.29) 1.A32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.9 L 0.08 C Shift Assignments>> C :: 176.591 CA :: 52.767 CB :: 20.565 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.276 HA :: 4.295 HB1 :: 1.585 HB2 :: 1.585 HB3 :: 1.585 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.498 Ave N Shift Values>> N :: 123.23(3.7) 1.S33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.751 CA :: 58.545 CB :: 63.407 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.547 HA :: 4.793 HB2 :: 3.939 HB3 :: 3.876 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 115.295 Ave N Shift Values>> N :: 116.3(3.95) 1.L34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.61 L 0.35 A 0.02 C Shift Assignments>> C :: 174.936 CA :: 53.200 CB :: 45.187 CG :: 26.286 CD1 :: 25.789 CD2 :: 23.766 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.646 HA :: 4.818 HB2 :: 1.063 HB3 :: 1.028 HG :: 1.200 HD11 :: -0.052 HD12 :: -0.052 HD13 :: -0.052 HD21 :: 0.150 HD22 :: 0.150 HD23 :: 0.150 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 125.948 Ave N Shift Values>> N :: 121.98(4.07) 1.L35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.51 L 0.46 A 0.01 C Shift Assignments>> C :: 174.971 CA :: 53.054 CB :: 44.877 CG :: 26.755 CD1 :: 24.788 CD2 :: 24.164 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.032 HA :: 4.894 HB2 :: 1.452 HB3 :: 1.215 HG :: 1.416 HD11 :: 0.822 HD12 :: 0.822 HD13 :: 0.822 HD21 :: 0.764 HD22 :: 0.764 HD23 :: 0.764 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 122.095 Ave N Shift Values>> N :: 121.98(4.07) 1.L36 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.68 A 0.29 G 0.01 C Shift Assignments>> C :: 176.238 CA :: 53.312 CB :: 41.732 CG :: 25.436 CD1 :: 23.623 CD2 :: 22.054 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 9.164 HA :: 4.450 HB2 :: 1.031 HB3 :: 1.433 HG :: 1.021 HD11 :: -0.722(S) HD12 :: -0.722(S) HD13 :: -0.722(S) HD21 :: 0.011 HD22 :: 0.011 HD23 :: 0.011 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 121.462 Ave N Shift Values>> N :: 121.98(4.07) 1.Y37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 177.179 CA :: 58.054 CB :: 39.584 CD1 :: 131.879 CD2 :: 131.879 CE1 :: 117.769 CE2 :: 117.769 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 9.509 HA :: 4.911 HB2 :: 2.875 HB3 :: 3.259 HD1 :: 7.011 HD2 :: 7.011 HE1 :: 6.707 HE2 :: 6.707 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 120.943 Ave N Shift Values>> N :: 120.79(4.69) 1.Q38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.53 K 0.29 E 0.11 R 0.05 HN Overlap>> 1.D43 1.D43 C Shift Assignments>> C :: 173.583 CA :: 55.197 CB :: 31.414 CG :: 32.698 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 7.971 HA :: 4.784 HB2 :: 2.271 HB3 :: 2.107 HG2 :: 2.286 HG3 :: 2.227 HE21 :: 6.790 HE22 :: 7.644 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 112.642 NE2 :: 111.623 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.R39 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.45 R 0.4 L 0.11 G 0.01 HN Overlap>> 1.N50 1.N50 C Shift Assignments>> C :: 174.986 CA :: 55.592 CB :: 29.679 CG :: 25.850 CD :: 42.270 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 9.051 HA :: 3.660 HB2 :: 1.517 HB3 :: 0.339(S) HG2 :: 0.853 HG3 :: 0.449(S) HD2 :: 2.099(S) HD3 :: 1.464(S) HE :: 5.870 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 128.677 NE :: 83.350 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) SRO Rule Breaks>> (HD3 > HB2 : 0.9950) 1.A40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.93 L 0.03 V 0.01 C Shift Assignments>> C :: 177.339 CA :: 53.815 CB :: 19.761 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.623 HA :: 4.356 HB1 :: 1.403 HB2 :: 1.403 HB3 :: 1.403 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 133.677 Ave N Shift Values>> N :: 123.23(3.7) 1.S41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.114 CA :: 56.959 CB :: 64.475 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.527 HA :: 4.544 HB2 :: 4.169 HB3 :: 4.241 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 110.686 Ave N Shift Values>> N :: 116.3(3.95) 1.D42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.31 Y 0.29 D 0.1 L 0.1 I 0.08 K 0.06 N 0.02 C Shift Assignments>> C :: 177.878 CA :: 57.531 CB :: 40.023 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.799 HA :: 4.101 HB2 :: 2.526 HB3 :: 2.526 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 118.404 Ave N Shift Values>> N :: 120.73(4.2) 1.D43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.32 R 0.25 D 0.14 K 0.12 F 0.05 Y 0.04 G 0.03 N 0.01 HN Overlap>> 1.Q38 1.Q38 C Shift Assignments>> C :: 176.802 CA :: 54.921 CB :: 42.937 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 7.928 HA :: 4.749 HB2 :: 2.397 HB3 :: 2.397 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 112.634 Ave N Shift Values>> N :: 120.73(4.2) 1.W44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.95 H 0.04 C Shift Assignments>> C :: 174.536 CA :: 57.107 CB :: 34.327 CD1 :: 127.403 CE3 :: 120.467 CZ2 :: 114.627 CZ3 :: 120.500 CH2 :: 124.721 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 7.379 HA :: 5.509 HB2 :: 3.200 HB3 :: 2.975 HD1 :: 7.125 HE1 :: 10.199 HE3 :: 7.464 HZ2 :: 7.477 HZ3 :: 6.716 HH2 :: 7.250 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 119.496 NE1 :: 128.604 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.W45 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Anomalous PRTL>> W 0.97 H 0.02 C Shift Assignments>> C :: 176.721 CA :: 56.634 CB :: 31.957 CD1 :: 125.457 CE3 :: 120.169 CZ2 :: 114.725 CZ3 :: 121.669 CH2 :: 124.285 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 9.973 HA :: 5.126 HB2 :: 2.994 HB3 :: 3.277 HD1 :: 6.937 HE1 :: 13.490(A) HE3 :: 7.232 HZ2 :: 7.463 HZ3 :: 6.926 HH2 :: 7.178 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 121.842 NE1 :: 138.872(A) Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.E46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.59 Q 0.19 K 0.16 I 0.03 C Shift Assignments>> C :: 177.280 CA :: 56.123 CB :: 30.684 CG :: 35.607 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 9.308 HA :: 5.027 HB2 :: 2.453 HB3 :: 2.187 HG2 :: 2.420 HG3 :: 2.313 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 120.208 Ave N Shift Values>> N :: 120.68(3.68) 1.G47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.9 L 0.04 A 0.02 P 0.01 C Shift Assignments>> C :: 170.749 CA :: 47.239 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.402 HA2 :: 4.080 HA3 :: 4.285 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 113.732 Ave N Shift Values>> N :: 109.91(4.29) 1.R48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.67 R 0.16 K 0.15 C Shift Assignments>> C :: 174.916 CA :: 55.084 CB :: 35.339 CG :: 27.327 CD :: 43.967 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 9.144 HA :: 5.641 HB2 :: 2.062 HB3 :: 1.424 HG2 :: 1.457 HG3 :: 1.371 HD2 :: 3.137 HD3 :: 3.080 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 122.415 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.H49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.52 H 0.47 C Shift Assignments>> C :: 174.923 CA :: 56.031 CB :: 32.641 CE1 :: 139.081 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 8.824 HA :: 4.915 HB2 :: 3.126 HB3 :: 3.056 HD2 :: 7.251 HE1 :: 7.993 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 123.904 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.N50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.62 Y 0.1 E 0.08 D 0.08 F 0.06 K 0.01 L 0.01 HN Overlap>> 1.R39 1.R39 C Shift Assignments>> C :: 174.769 CA :: 53.149 CB :: 37.272 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 9.151 HA :: 4.187 HB2 :: 1.792 HB3 :: 2.984 HD21 :: 7.538 HD22 :: 6.738 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 128.721 ND2 :: 111.101 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.G51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.85 L 0.09 R 0.03 C Shift Assignments>> C :: 173.049 CA :: 45.372 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.625 HA2 :: 3.503 HA3 :: 4.104 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 101.971 Ave N Shift Values>> N :: 109.91(4.29) 1.I52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 174.236 CA :: 59.938 CB :: 39.829 CG1 :: 26.777 CG2 :: 17.662 CD1 :: 12.200 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.779 HA :: 4.341 HB :: 2.055 HG12 :: 1.600 HG13 :: 1.213 HG21 :: 1.035 HG22 :: 1.035 HG23 :: 1.035 HD11 :: 0.952 HD12 :: 0.952 HD13 :: 0.952 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 121.664 Ave N Shift Values>> N :: 121.6(4.72) 1.D53 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> D 0.28 L 0.28 K 0.13 R 0.11 N 0.07 F 0.05 Y 0.04 G 0.01 C Shift Assignments>> C :: 177.286 CA :: 53.314 CB :: 42.190 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.404 HA :: 5.858(S) HB2 :: 3.003 HB3 :: 2.645 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 126.108 Ave N Shift Values>> N :: 120.73(4.2) 1.G54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.91 L 0.06 C Shift Assignments>> C :: 170.996 CA :: 46.238 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.086 HA2 :: 4.172 HA3 :: 4.255 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.567 Ave N Shift Values>> N :: 109.91(4.29) 1.L55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.54 L 0.38 A 0.04 R 0.02 HN Overlap>> 1.Y18 1.Y18 C Shift Assignments>> C :: 177.652 CA :: 54.343 CB :: 45.176 CG :: 27.067 CD1 :: 25.487 CD2 :: 22.971 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.718 HA :: 5.508 HB2 :: 1.636 HB3 :: 1.435 HG :: 1.554 HD11 :: 0.381 HD12 :: 0.381 HD13 :: 0.381 HD21 :: 0.753 HD22 :: 0.753 HD23 :: 0.753 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 120.139 Ave N Shift Values>> N :: 121.98(4.07) 1.I56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.84 A 0.08 I 0.06 C Shift Assignments>> C :: 173.800 CA :: 57.931 CB :: 44.511 CG1 :: 29.026 CG2 :: 17.924 CD1 :: 15.525 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 9.684 HA :: 4.930 HB :: 1.590 HG12 :: 1.731 HG13 :: 0.844 HG21 :: 0.655 HG22 :: 0.655 HG23 :: 0.655 HD11 :: 0.632 HD12 :: 0.632 HD13 :: 0.632 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 121.100 Ave N Shift Values>> N :: 121.6(4.72) 1.P57 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 177.493 CA :: 61.862 CB :: 30.579 CG :: 25.587 CD :: 51.318 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.180 HB2 :: 1.507 HB3 :: 1.000 HG2 :: 1.243 HG3 :: 0.199(S) HD2 :: 3.542 HD3 :: 3.835 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.H58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.65 W 0.34 C Shift Assignments>> C :: 176.876 CA :: 60.239 CB :: 32.652 CD2 :: 117.153 CE1 :: 138.007 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 8.231 HA :: 4.271 HB2 :: 2.971 HB3 :: 2.881 HD2 :: 6.923 HE1 :: 7.880 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 125.183 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.Q59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.36 K 0.33 E 0.15 R 0.11 I 0.03 C Shift Assignments>> C :: 175.963 CA :: 57.696 CB :: 27.895 CG :: 34.043 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.948 HA :: 4.018 HB2 :: 2.025 HB3 :: 1.909 HG2 :: 2.376 HG3 :: 2.376 HE21 :: 7.562 HE22 :: 6.902 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 112.328 NE2 :: 112.389 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.Y60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 174.775 CA :: 58.571 CB :: 38.772 CD1 :: 132.778 CD2 :: 132.778 CE1 :: 118.391 CE2 :: 118.391 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 7.516 HA :: 4.538 HB2 :: 2.861 HB3 :: 3.717 HD1 :: 6.971 HD2 :: 6.971 HE1 :: 6.954 HE2 :: 6.954 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 115.474 Ave N Shift Values>> N :: 120.79(4.69) 1.I61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.87 G 0.09 A 0.02 C Shift Assignments>> C :: 174.243 CA :: 59.530 CB :: 42.184 CG1 :: 24.709 CG2 :: 18.770 CD1 :: 14.929 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.198 HA :: 4.947 HB :: 1.343 HG12 :: 1.054 HG13 :: 1.017 HG21 :: 0.369 HG22 :: 0.369 HG23 :: 0.369 HD11 :: 0.200 HD12 :: 0.200 HD13 :: 0.200 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 113.031 Ave N Shift Values>> N :: 121.6(4.72) 1.V62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 175.594 CA :: 61.479 CB :: 33.648 CG1 :: 20.645 CG2 :: 20.868 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.737 HA :: 4.157 HB :: 1.838 HG11 :: 0.780 HG12 :: 0.780 HG13 :: 0.780 HG21 :: 0.750 HG22 :: 0.750 HG23 :: 0.750 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 121.134 Ave N Shift Values>> N :: 121.02(4.96) 1.V63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 175.826 CA :: 62.813 CB :: 32.563 CG1 :: 21.384 CG2 :: 21.212 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.616 HA :: 3.868 HB :: 1.943 HG11 :: 0.846 HG12 :: 0.846 HG13 :: 0.846 HG21 :: 0.759 HG22 :: 0.759 HG23 :: 0.759 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 128.281 Ave N Shift Values>> N :: 121.02(4.96) 1.Q64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.4 K 0.35 E 0.16 R 0.06 C Shift Assignments>> C :: 175.119 CA :: 55.479 CB :: 29.437 CG :: 33.813 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.516 HA :: 4.322 HB2 :: 2.033 HB3 :: 1.913 HG2 :: 2.186 HG3 :: 2.259 HE21 :: 7.201 HE22 :: 6.880 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 126.278 NE2 :: 112.500 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.D65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.29 L 0.23 K 0.15 N 0.09 F 0.08 Y 0.07 R 0.05 C Shift Assignments>> C :: 176.680 CA :: 54.214 CB :: 41.413 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.394 HA :: 4.719 HB2 :: 2.741 HB3 :: 2.667 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 122.810 Ave N Shift Values>> N :: 120.73(4.2) 1.T66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.901 CA :: 61.652 CB :: 69.446 CG2 :: 21.607 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.287 HA :: 4.419 HB :: 4.380 HG21 :: 1.212 HG22 :: 1.212 HG23 :: 1.212 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 114.854 Ave N Shift Values>> N :: 115.7(5.05) 1.S67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.665 CA :: 58.805 CB :: 64.011 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.434 HA :: 4.488 HB2 :: 3.922 HB3 :: 3.922 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 118.334 Ave N Shift Values>> N :: 116.3(3.95) 1.G68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.59 L 0.2 R 0.14 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> C :: 171.799 CA :: 44.655 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.249 HA2 :: 4.175 HA3 :: 4.084 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.668 Ave N Shift Values>> N :: 109.91(4.29) 1.P69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 177.432 CA :: 63.180 CB :: 32.144 CG :: 27.115 CD :: 49.823 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.491 HB2 :: 1.983 HB3 :: 2.300 HG2 :: 2.031 HG3 :: 2.031 HD2 :: 3.634 HD3 :: 3.634 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.S70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.731 CA :: 58.422 CB :: 63.807 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.527 HA :: 4.520 HB2 :: 3.922 HB3 :: 3.922 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 116.494 Ave N Shift Values>> N :: 116.3(3.95) 1.S71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.963 CA :: 58.422 CB :: 63.943 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.348 HA :: 4.505 HB2 :: 3.906 HB3 :: 3.906 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 117.953 Ave N Shift Values>> N :: 116.3(3.95) 1.G72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.91 L 0.06 C Shift Assignments>> C :: 178.995 CA :: 46.163 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.055 HA2 :: 3.801 HA3 :: 3.767 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 116.888 Ave N Shift Values>> N :: 109.91(4.29) ########################################################################### Overall Results: #Consistent: 66 #Clerical: 0 #Suspicious: 5 #Anomalous: 1 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 67 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 5 Shift Relative Order (SRO) Results: #Consistent: 71 #Suspicious: 1 C Shift Results: #Consistent: 296 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 447 #Duplicate: 0 #Unknown: 0 #Suspicious: 10 #Anomalous: 1 N Shift Results: #Consistent: 69 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 1 Error Summary: 1.Y18 HB3 = 0.979(S), Expected = 2.91, Std = 0.3700, ChiSquare = 1.7997e-07 1.L36 HD11 = -0.722(S), Expected = 0.77, Std = 0.2700, ChiSquare = 3.2775e-08 1.L36 HD12 = -0.722(S), Expected = 0.77, Std = 0.2700, ChiSquare = 3.2775e-08 1.L36 HD13 = -0.722(S), Expected = 0.77, Std = 0.2700, ChiSquare = 3.2775e-08 1.R39 HB3 = 0.339(S), Expected = 1.78, Std = 0.2800, ChiSquare = 2.6549e-07 1.R39 HG3 = 0.449(S), Expected = 1.58, Std = 0.2700, ChiSquare = 2.8032e-05 1.R39 HD2 = 2.099(S), Expected = 3.13, Std = 0.2300, ChiSquare = 7.3736e-06 1.R39 HD3 = 1.464(S), Expected = 3.13, Std = 0.2200, ChiSquare = 3.6547e-14 1.R39 SRO Rule Break>> HD3 > HB2 : 0.994991652754591 1.W45 HE1 = 13.490(A), Expected = 10.13, Std = 0.5300, ChiSquare = 2.3033e-10 1.W45 NE1 = 138.872(A), Expected = 129.48, Std = 2.5600, ChiSquare = 2.4374e-04 1.D53 HA = 5.858(S), Expected = 4.61, Std = 0.3100, ChiSquare = 5.6780e-05 1.P57 HG3 = 0.199(S), Expected = 1.92, Std = 0.3700, ChiSquare = 3.2977e-06