G1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable S2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable S3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 175.060 CA :: 58.665 CB :: 64.035 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> HA :: 4.519 HB2 :: 3.937 HB3 :: 3.937 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) G4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 L 0.08 C 0.07 R 0.02 C Shift Assignments>> C :: 174.309 CA :: 45.406 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.480 HA2 :: 4.040 HA3 :: 4.040 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.007 Ave N Shift Values>> N :: 109.91(4.29) S5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.891 CA :: 58.233 CB :: 64.071 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.285 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 :: 115.822 Ave N Shift Values>> N :: 116.3(3.95) S6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 175.012 CA :: 58.665 CB :: 64.035 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> HA :: 4.506 HB2 :: 3.924 HB3 :: 3.924 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) G7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 L 0.08 C 0.07 R 0.03 C Shift Assignments>> C :: 174.043 CA :: 45.390 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.426 HA2 :: 4.015 HA3 :: 3.967 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.603 Ave N Shift Values>> N :: 109.91(4.29) N8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.44 D 0.23 C 0.16 F 0.07 L 0.05 C Shift Assignments>> C :: 174.988 CA :: 53.282 CB :: 39.075 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 :: 8.330 HA :: 4.744 HB2 :: 2.834 HB3 :: 2.707 HD21 :: 7.565 HD22 :: 6.893 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 :: 118.784 ND2 :: 112.765 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) D9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.28 L 0.21 K 0.14 C 0.12 F 0.09 N 0.09 R 0.03 C Shift Assignments>> C :: 175.908 CA :: 54.514 CB :: 41.153 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 :: 8.357 HA :: 4.574 HB2 :: 2.696 HB3 :: 2.632 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 :: 120.682 Ave N Shift Values>> N :: 120.73(4.2) A10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.95 C 0.03 L 0.01 C Shift Assignments>> C :: 177.750 CA :: 52.572 CB :: 19.306 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.147 HA :: 4.335 HB :: 1.390 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.815 Ave N Shift Values>> N :: 123.23(3.7) V11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.72 C 0.27 C Shift Assignments>> C :: 175.666 CA :: 62.219 CB :: 32.929 CG1 :: 20.442 CG2 :: 21.264 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 :: 8.035 HA :: 4.090 HB :: 2.041 HG1 :: 0.904 HG2 :: 0.868 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 :: 118.784 Ave N Shift Values>> N :: 121.02(4.96) D12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 L 0.21 K 0.13 C 0.11 N 0.1 F 0.08 R 0.04 C Shift Assignments>> C :: 175.545 CA :: 54.127 CB :: 41.259 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 :: 8.268 HA :: 4.610 HB2 :: 2.652 HB3 :: 2.540 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 :: 123.135 Ave N Shift Values>> N :: 120.73(4.2) F13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.58 C 0.41 C Shift Assignments>> C :: 175.254 CA :: 57.715 CB :: 39.824 CD1 :: 131.906 CD2 :: 131.906 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 :: 8.100 HA :: 4.614 HB2 :: 3.057 HB3 :: 3.057 HD1 :: 7.208 HD2 :: 7.208 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 :: 120.899 Ave N Shift Values>> N :: 120.69(4.18) S14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.589 CA :: 55.849 CB :: 64.235 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.352 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 :: 120.401 Ave N Shift Values>> N :: 116.3(3.95) P15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.85 C 0.14 C Shift Assignments>> C :: 177.338 CA :: 64.187 CB :: 32.212 CG :: 27.610 CD :: 50.939 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 :: 4.438 HB2 :: 2.433 HB3 :: 2.070 HG2 :: 2.107 HG3 :: 2.107 HD2 :: 3.835 HD3 :: 3.733 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) T16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.67 C 0.29 A 0.02 C Shift Assignments>> C :: 173.800 CA :: 58.630 CB :: 71.764 CG2 :: 21.317 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 :: 7.763 HA :: 5.221 HB :: 3.497 HG2 :: 0.343 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 :: 110.697 Ave N Shift Values>> N :: 115.7(5.05) L17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.73 L 0.12 C 0.1 A 0.02 C Shift Assignments>> C :: 173.873 CA :: 51.585 CB :: 45.495 CG :: 26.967 CD1 :: 23.666 CD2 :: 26.153 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 :: 8.617 HA :: 5.000 HB2 :: 1.669 HB3 :: 1.476 HG :: 1.543 HD1 :: 0.968 HD2 :: 0.816 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 :: 120.401 Ave N Shift Values>> N :: 121.98(4.07) P18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.76 C 0.23 C Shift Assignments>> C :: 177.483 CA :: 62.535 CB :: 31.302 CG :: 27.369 CD :: 50.550 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 :: 4.979 HB2 :: 2.236 HB3 :: 2.099 HG2 :: 2.423 HG3 :: 2.142 HD2 :: 3.865 HD3 :: 3.644 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) V19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.77 I 0.16 A 0.03 V 0.02 C Shift Assignments>> C :: 176.538 CA :: 58.425 CB :: 36.819 CG1 :: 23.335 CG2 :: 18.623 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 :: 8.868 HA :: 5.886 HB :: 2.207 HG1 :: 0.802 HG2 :: 0.375 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 :: 117.166 Ave N Shift Values>> N :: 121.02(4.96) T20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.58 C 0.4 C Shift Assignments>> C :: 174.115 CA :: 59.932 CB :: 72.833 CG2 :: 22.045 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 :: 9.345 HA :: 5.426 HB :: 4.266 HG2 :: 1.242 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 :: 111.595 Ave N Shift Values>> N :: 115.7(5.05) C21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.16 R 0.16 C 0.13 W 0.11 K 0.1 Q 0.09 E 0.07 H 0.07 L 0.05 C Shift Assignments>> C :: 174.164 CA :: 59.087 CB :: 27.676 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.273 HA :: 4.505 HB2 :: 2.633 HB3 :: 1.793 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 121.723 Ave N Shift Values>> N :: 119.95(4.79) G22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.75 C 0.18 L 0.03 C Shift Assignments>> C :: 175.642 CA :: 47.027 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.968 HA2 :: 4.194 HA3 :: 3.704 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 117.979 Ave N Shift Values>> N :: 109.91(4.29) K23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.39 C 0.38 R 0.2 G 0.01 C Shift Assignments>> C :: 176.054 CA :: 56.942 CB :: 32.708 CG :: 24.617 CD :: 29.172 CE :: 42.164 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 :: 8.898 HA :: 4.349 HB2 :: 1.961 HB3 :: 1.866 HG2 :: 1.475 HG3 :: 1.475 HD2 :: 1.729 HD3 :: 1.729 HE2 :: 3.033 HE3 :: 3.033 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 :: 126.591 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) A24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.89 C 0.05 L 0.04 C Shift Assignments>> C :: 176.708 CA :: 51.973 CB :: 20.481 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.352 HA :: 4.577 HB :: 0.995 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.418 Ave N Shift Values>> N :: 123.23(3.7) K25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 K 0.29 R 0.23 G 0.01 C Shift Assignments>> C :: 175.545 CA :: 55.323 CB :: 36.408 CG :: 24.897 CD :: 29.309 CE :: 42.113 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 :: 8.517 HA :: 5.332 HB2 :: 1.964 HB3 :: 1.765 HG2 :: 1.487 HG3 :: 1.441 HD2 :: 1.690 HD3 :: 1.690 HE2 :: 2.980 HE3 :: 2.980 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 :: 121.011 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) G26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 C 0.09 L 0.06 R 0.01 C Shift Assignments>> C :: 171.547 CA :: 45.922 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.691 HA2 :: 4.438 HA3 :: 3.357 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.533 Ave N Shift Values>> N :: 109.91(4.29) T27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.91 C 0.08 C Shift Assignments>> C :: 172.419 CA :: 61.972 CB :: 70.695 CG2 :: 22.101 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 :: 8.718 HA :: 4.765 HB :: 3.935 HG2 :: 0.742 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 :: 118.301 Ave N Shift Values>> N :: 115.7(5.05) L28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.36 L 0.28 C 0.24 R 0.09 C Shift Assignments>> C :: 174.988 CA :: 54.584 CB :: 44.783 CG :: 28.085 CD1 :: 24.947 CD2 :: 25.926 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 :: 9.656 HA :: 4.778 HB2 :: 1.922 HB3 :: 1.273 HG :: 1.410 HD1 :: 0.891 HD2 :: 0.864 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 :: 129.165 Ave N Shift Values>> N :: 121.98(4.07) F29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 F 0.46 C Shift Assignments>> C :: 176.974 CA :: 57.328 CB :: 38.052 CD1 :: 131.931 CD2 :: 131.931 CE1 :: 132.160 CE2 :: 132.160 CZ :: 130.372 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 :: 9.227 HA :: 4.773 HB2 :: 3.309 HB3 :: 3.127 HD1 :: 7.451 HD2 :: 7.451 HE1 :: 7.216 HE2 :: 7.216 HZ :: 7.307 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 :: 128.178 Ave N Shift Values>> N :: 120.69(4.18) Q30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 I 0.2 E 0.19 K 0.1 Q 0.08 P 0.01 C Shift Assignments>> C :: 177.725 CA :: 61.374 CB :: 29.526 CG :: 34.846 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 :: 8.369 HA :: 3.898 HB2 :: 2.213 HB3 :: 2.083 HG2 :: 2.357 HG3 :: 2.038 HE21 :: 7.417 HE22 :: 6.753 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 :: 125.152 NE2 :: 111.016 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) E31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.34 C 0.34 I 0.2 K 0.07 Q 0.02 C Shift Assignments>> C :: 178.791 CA :: 59.193 CB :: 29.337 CG :: 36.408 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 :: 9.854 HA :: 4.110 HB2 :: 2.133 HB3 :: 2.133 HG2 :: 2.449 HG3 :: 2.352 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 :: 118.065 Ave N Shift Values>> N :: 120.68(3.68) K32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 K 0.36 R 0.23 C Shift Assignments>> C :: 178.040 CA :: 58.525 CB :: 32.955 CG :: 26.387 CD :: 28.994 CE :: 41.835 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 :: 7.110 HA :: 4.226 HB2 :: 2.003 HB3 :: 1.895 HG2 :: 1.500 HG3 :: 1.387 HD2 :: 1.417 HD3 :: 1.334 HE2 :: 2.477 HE3 :: 2.343 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 :: 116.354 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) L33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.48 C 0.34 R 0.15 K 0.01 HN Overlap>> K39 C Shift Assignments>> C :: 178.816 CA :: 56.942 CB :: 41.753 CG :: 27.446 CD1 :: 26.295 CD2 :: 22.984 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 :: 7.587 HA :: 4.227 HB2 :: 1.996 HB3 :: 1.665 HG :: 1.788 HD1 :: 1.101 HD2 :: 0.993 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 :: 120.760 Ave N Shift Values>> N :: 121.98(4.07) K34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.4 C 0.38 R 0.2 HN Overlap>> S64 C Shift Assignments>> C :: 177.532 CA :: 58.665 CB :: 32.626 CG :: 25.254 CD :: 29.501 CE :: 41.999 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 :: 7.768 HA :: 3.885 HB2 :: 1.816 HB3 :: 1.816 HG2 :: 1.396 HG3 :: 1.295 HD2 :: 1.573 HD3 :: 1.573 HE2 :: 2.819 HE3 :: 2.819 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 :: 117.820 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) Q35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.26 C 0.26 K 0.25 E 0.14 R 0.05 I 0.01 C Shift Assignments>> C :: 176.562 CA :: 56.694 CB :: 28.844 CG :: 34.024 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 :: 7.299 HA :: 4.224 HB2 :: 2.249 HB3 :: 2.154 HG2 :: 2.586 HG3 :: 2.423 HE21 :: 7.484 HE22 :: 6.871 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 :: 114.983 NE2 :: 111.963 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) G36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.08 L 0.07 R 0.02 C Shift Assignments>> C :: 173.219 CA :: 45.568 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.677 HA2 :: 4.464 HA3 :: 3.822 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.769 Ave N Shift Values>> N :: 109.91(4.29) A37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.92 C 0.04 I 0.02 C Shift Assignments>> C :: 178.743 CA :: 54.061 CB :: 18.336 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.519 HA :: 4.096 HB :: 1.311 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.572 Ave N Shift Values>> N :: 123.23(3.7) S38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.115 CA :: 58.349 CB :: 63.321 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.261 HA :: 4.455 HB2 :: 4.048 HB3 :: 3.919 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 :: 111.876 Ave N Shift Values>> N :: 116.3(3.95) K39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.39 C 0.29 R 0.29 G 0.01 HN Overlap>> L33 C Shift Assignments>> C :: 177.386 CA :: 54.338 CB :: 32.320 CG :: 24.897 CD :: 27.907 CE :: 42.375 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 :: 7.492 HA :: 4.290 HB2 :: 1.878 HB3 :: 1.674 HG2 :: 1.375 HG3 :: 1.297 HD2 :: 1.560 HD3 :: 1.560 HE2 :: 2.912 HE3 :: 2.861 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 :: 120.817 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) K40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.41 C 0.38 R 0.18 C Shift Assignments>> C :: 176.199 CA :: 56.449 CB :: 32.272 CG :: 24.746 CD :: 29.704 CE :: 42.039 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 :: 8.517 HA :: 3.846 HB2 :: 1.846 HB3 :: 1.484 HG2 :: 1.522 HG3 :: 1.443 HD2 :: 1.733 HD3 :: 1.463 HE2 :: 3.098 HE3 :: 3.098 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 :: 121.174 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) C41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.14 W 0.14 H 0.14 Q 0.13 R 0.13 C 0.12 K 0.11 I 0.02 V 0.01 C Shift Assignments>> C :: 171.693 CA :: 57.082 CB :: 29.825 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.195 HA :: 4.932 HB2 :: 3.153 HB3 :: 2.512 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 116.268 Ave N Shift Values>> N :: 119.95(4.79) I42 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.57 I 0.4 G 0.01 C Shift Assignments>> C :: 173.752 CA :: 59.510 CB :: 41.882 CG1 :: 29.788 CG2 :: 16.255 CD1 :: 14.040 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 :: 8.842 HA :: 5.248 HB :: 1.286 HG2 :: -0.183(S) HG12 :: 1.789 HG13 :: 0.383 HD1 :: 0.387 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 :: 126.199 Ave N Shift Values>> N :: 121.6(4.72) Q43 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.42 Q 0.3 K 0.18 E 0.05 R 0.02 C Shift Assignments>> C :: 177.556 CA :: 53.001 CB :: 30.715 CG :: 33.201 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 :: 8.771 HA :: 4.882 HB2 :: 1.572 HB3 :: 0.195(S) HG2 :: 1.446 HG3 :: 0.528(S) HE21 :: 6.570 HE22 :: 6.289 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 :: 127.011 NE2 :: 110.172 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) N44 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> N 0.61 C 0.19 D 0.12 F 0.03 L 0.01 E 0.01 C Shift Assignments>> C :: 176.611 CA :: 51.770 CB :: 38.218 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 :: 8.725 HA :: 4.949 HB2 :: 3.978(S) HB3 :: 2.839 HD21 :: 8.841 HD22 :: 7.557 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 :: 126.331 ND2 :: 112.990 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) E45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 E 0.32 I 0.28 K 0.03 C Shift Assignments>> C :: 177.071 CA :: 59.474 CB :: 29.584 CG :: 37.064 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 :: 8.471 HA :: 3.964 HB2 :: 2.061 HB3 :: 2.061 HG2 :: 2.372 HG3 :: 2.234 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 :: 119.012 Ave N Shift Values>> N :: 120.68(3.68) A46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.96 C 0.02 C Shift Assignments>> C :: 177.725 CA :: 52.471 CB :: 18.881 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.505 HA :: 4.310 HB :: 1.446 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.041 Ave N Shift Values>> N :: 123.23(3.7) G47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.48 L 0.2 R 0.16 C 0.1 F 0.02 D 0.01 C Shift Assignments>> C :: 174.333 CA :: 44.537 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.875 HA2 :: 4.273 HA3 :: 3.332 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.433 Ave N Shift Values>> N :: 109.91(4.29) D48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.28 L 0.21 K 0.14 C 0.11 N 0.09 F 0.08 R 0.04 HN Overlap>> E58 C Shift Assignments>> C :: 175.060 CA :: 54.232 CB :: 41.341 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 :: 8.130 HA :: 4.623 HB2 :: 2.654 HB3 :: 2.472 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 :: 122.774 Ave N Shift Values>> N :: 120.73(4.2) W49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.5 C 0.45 H 0.04 C Shift Assignments>> C :: 176.369 CA :: 57.012 CB :: 30.932 CD1 :: 127.284 CE3 :: 119.114 CZ2 :: 114.648 CZ3 :: 121.053 CH2 :: 124.366 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 :: 8.651 HA :: 5.018 HB2 :: 3.055 HB3 :: 2.920 HD1 :: 7.345 HE1 :: 10.084 HE3 :: 6.991 HZ2 :: 6.981 HH2 :: 5.200 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 :: 120.221 NE1 :: 129.545 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) L50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.4 C 0.38 L 0.18 A 0.02 C Shift Assignments>> C :: 178.355 CA :: 54.127 CB :: 46.546 CG :: 27.196 CD1 :: 27.117 CD2 :: 23.828 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 :: 10.111 HA :: 5.228 HB2 :: 1.970 HB3 :: 1.555 HG :: 1.617 HD1 :: 0.985 HD2 :: 0.901 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 :: 124.534 Ave N Shift Values>> N :: 121.98(4.07) T51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.83 C 0.15 C Shift Assignments>> C :: 175.472 CA :: 60.565 CB :: 71.188 CG2 :: 22.101 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 :: 9.361 HA :: 4.817 HB :: 4.652 HG2 :: 1.121 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 :: 113.572 Ave N Shift Values>> N :: 115.7(5.05) V52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.97 C 0.02 C Shift Assignments>> C :: 177.677 CA :: 67.651 CB :: 31.110 CG1 :: 21.115 CG2 :: 21.257 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 :: 8.663 HA :: 3.492 HB :: 1.535 HG1 :: 0.326 HG2 :: 0.211 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 :: 117.885 Ave N Shift Values>> N :: 121.02(4.96) K53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.41 C 0.38 R 0.18 G 0.01 C Shift Assignments>> C :: 179.494 CA :: 59.967 CB :: 32.461 CG :: 25.467 CD :: 29.172 CE :: 42.081 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 :: 7.964 HA :: 3.907 HB2 :: 1.772 HB3 :: 1.772 HG2 :: 1.510 HG3 :: 1.394 HD2 :: 1.726 HD3 :: 1.726 HE2 :: 3.035 HE3 :: 3.035 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 :: 118.283 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) E54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 E 0.33 I 0.22 K 0.01 C Shift Assignments>> C :: 179.785 CA :: 58.982 CB :: 30.709 CG :: 37.641 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 :: 7.916 HA :: 4.055 HB2 :: 2.406 HB3 :: 2.142 HG2 :: 2.384 HG3 :: 2.384 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 :: 119.143 Ave N Shift Values>> N :: 120.68(3.68) F55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.71 C 0.28 C Shift Assignments>> C :: 176.684 CA :: 61.128 CB :: 39.804 CD1 :: 131.220 CD2 :: 131.220 CE1 :: 130.968 CE2 :: 130.968 CZ :: 129.226 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 :: 8.617 HA :: 4.357 HB2 :: 3.104 HB3 :: 2.978 HD1 :: 7.015 HD2 :: 7.015 HE1 :: 6.861 HE2 :: 6.861 HZ :: 6.766 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 :: 123.909 Ave N Shift Values>> N :: 120.69(4.18) L56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 L 0.26 R 0.18 K 0.03 C Shift Assignments>> C :: 180.245 CA :: 58.489 CB :: 41.341 CG :: 28.926 CD1 :: 25.348 CD2 :: 25.226 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 :: 8.420 HA :: 4.028 HB2 :: 1.882 HB3 :: 1.455 HG :: 1.864 HD1 :: 1.023 HD2 :: 0.941 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 :: 119.682 Ave N Shift Values>> N :: 121.98(4.07) N57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.31 F 0.26 D 0.1 N 0.09 E 0.09 I 0.08 L 0.04 C Shift Assignments>> C :: 179.082 CA :: 56.694 CB :: 38.550 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 :: 7.872 HA :: 4.337 HB2 :: 2.951 HB3 :: 2.910 HD21 :: 7.778 HD22 :: 6.864 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 :: 116.268 ND2 :: 112.765 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) E58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.3 I 0.26 K 0.06 Q 0.01 HN Overlap>> D48 C Shift Assignments>> C :: 178.380 CA :: 59.580 CB :: 29.021 CG :: 36.490 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 :: 8.190 HA :: 4.004 HB2 :: 2.149 HB3 :: 2.038 HG2 :: 2.398 HG3 :: 2.249 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 :: 122.843 Ave N Shift Values>> N :: 120.68(3.68) G59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 C 0.1 L 0.06 R 0.01 C Shift Assignments>> C :: 174.576 CA :: 45.962 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.948 HA2 :: 4.094 HA3 :: 3.582 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 103.896 Ave N Shift Values>> N :: 109.91(4.29) G60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 C 0.1 L 0.06 R 0.01 C Shift Assignments>> C :: 175.545 CA :: 46.035 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.797 HA2 :: 4.186 HA3 :: 4.052 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.541 Ave N Shift Values>> N :: 109.91(4.29) R61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.42 C 0.29 K 0.18 L 0.05 G 0.04 C Shift Assignments>> C :: 176.126 CA :: 53.107 CB :: 29.868 CG :: 26.541 CD :: 42.575 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 :: 8.357 HA :: 4.817 HB2 :: 2.100 HB3 :: 1.420 HD2 :: 3.179 HD3 :: 3.078 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 :: 120.247 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) A62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.79 C 0.08 L 0.04 V 0.03 I 0.02 T 0.01 C Shift Assignments>> C :: 178.888 CA :: 54.795 CB :: 19.635 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.241 HA :: 4.085 HB :: 1.482 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.838 Ave N Shift Values>> N :: 123.23(3.7) T63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.91 C 0.08 C Shift Assignments>> C :: 175.085 CA :: 61.585 CB :: 69.155 CG2 :: 21.646 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 :: 7.779 HA :: 4.304 HB :: 4.480 HG2 :: 1.220 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 :: 105.197 Ave N Shift Values>> N :: 115.7(5.05) S64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> K34 C Shift Assignments>> C :: 174.600 CA :: 59.299 CB :: 64.035 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.795 HA :: 4.366 HB2 :: 3.970 HB3 :: 3.777 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 :: 117.885 Ave N Shift Values>> N :: 116.3(3.95) K65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.41 C 0.4 R 0.17 G 0.01 C Shift Assignments>> C :: 177.144 CA :: 57.012 CB :: 32.790 CG :: 25.120 CE :: 42.164 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 :: 8.540 HA :: 4.372 HB2 :: 1.797 HB3 :: 1.797 HG2 :: 1.565 HG3 :: 1.493 HD2 :: 2.000 HD3 :: 1.735 HE2 :: 3.070 HE3 :: 3.070 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 :: 124.269 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) D66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.33 D 0.33 C 0.13 L 0.1 F 0.05 K 0.02 C Shift Assignments>> C :: 176.514 CA :: 52.471 CB :: 40.222 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 :: 8.383 HA :: 4.864 HB2 :: 2.806 HB3 :: 2.488 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 :: 120.062 Ave N Shift Values>> N :: 120.73(4.2) W67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.52 C 0.41 H 0.05 C Shift Assignments>> C :: 177.604 CA :: 59.299 CB :: 28.515 CD1 :: 128.341 CE3 :: 120.470 CZ2 :: 114.939 CZ3 :: 121.430 CH2 :: 124.574 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 :: 7.853 HA :: 4.311 HB2 :: 3.289 HB3 :: 3.165 HD1 :: 7.549 HE1 :: 10.435 HE3 :: 7.233 HZ2 :: 7.604 HH2 :: 7.161 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 :: 124.296 NE1 :: 130.564 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) K68 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.39 K 0.39 R 0.19 G 0.01 C Shift Assignments>> C :: 176.950 CA :: 59.297 CB :: 32.364 CG :: 24.815 CD :: 29.906 CE :: 42.246 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 :: 7.468 HA :: 3.667 HB2 :: 1.197 HB3 :: 1.093 HG2 :: -0.150(S) HG3 :: -0.416(S) HD2 :: 1.117 HD3 :: 1.064 HE2 :: 2.483 HE3 :: 2.407 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 :: 119.323 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) G69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.74 L 0.1 C 0.08 R 0.04 C Shift Assignments>> C :: 174.503 CA :: 45.169 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.511 HA2 :: 4.153 HA3 :: 3.760 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 102.696 Ave N Shift Values>> N :: 109.91(4.29) V70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.69 C 0.29 C Shift Assignments>> C :: 175.424 CA :: 61.972 CB :: 33.709 CG1 :: 20.630 CG2 :: 21.712 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 :: 7.305 HA :: 4.485 HB :: 2.230 HG1 :: 1.032 HG2 :: 1.005 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 :: 112.494 Ave N Shift Values>> N :: 121.02(4.96) I71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.75 C 0.24 C Shift Assignments>> C :: 174.576 CA :: 62.265 CB :: 38.224 CG1 :: 29.261 CG2 :: 18.414 CD1 :: 14.429 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 :: 7.516 HA :: 4.641 HB :: 1.928 HG2 :: 1.114 HG12 :: 2.429 HG13 :: 1.062 HD1 :: 1.250 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 :: 122.737 Ave N Shift Values>> N :: 121.6(4.72) R72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 K 0.21 G 0.16 R 0.08 C Shift Assignments>> C :: 174.891 CA :: 53.845 CB :: 34.846 CG :: 28.679 CD :: 43.397 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 :: 8.685 HA :: 5.200 HB2 :: 1.574 HB3 :: 1.197 HG2 :: 1.497 HG3 :: 1.060 HD2 :: 3.024 HD3 :: 2.840 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 :: 123.729 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) C73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.15 Q 0.14 R 0.14 C 0.11 W 0.11 H 0.11 E 0.1 L 0.06 I 0.05 C Shift Assignments>> C :: 175.642 CA :: 57.391 CB :: 28.210 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 9.515 HA :: 4.996 HB2 :: 2.612 HB3 :: 2.462 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 119.753 Ave N Shift Values>> N :: 119.95(4.79) N74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.35 C 0.29 E 0.11 F 0.09 D 0.08 I 0.01 L 0.01 K 0.01 C Shift Assignments>> C :: 175.375 CA :: 54.443 CB :: 37.559 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 :: 9.697 HA :: 4.409 HB2 :: 3.132 HB3 :: 2.922 HD21 :: 7.604 HD22 :: 6.876 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 :: 129.390 ND2 :: 113.359 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) G75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 L 0.08 C 0.08 R 0.02 C Shift Assignments>> C :: 173.922 CA :: 45.455 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.483 HA2 :: 4.319 HA3 :: 3.606 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 102.067 Ave N Shift Values>> N :: 109.91(4.29) E76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.6 E 0.31 Q 0.05 K 0.01 C Shift Assignments>> C :: 176.151 CA :: 54.232 CB :: 32.202 CG :: 35.885 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 :: 7.813 HA :: 4.882 HB2 :: 2.057 HB3 :: 1.969 HG2 :: 2.334 HG3 :: 2.206 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 :: 122.018 Ave N Shift Values>> N :: 120.68(3.68) T77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.91 C 0.08 C Shift Assignments>> C :: 175.496 CA :: 62.007 CB :: 69.873 CG2 :: 22.248 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 :: 9.089 HA :: 4.594 HB :: 5.004 HG2 :: 1.304 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 :: 113.932 Ave N Shift Values>> N :: 115.7(5.05) L78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.69 L 0.28 A 0.01 C Shift Assignments>> C :: 179.228 CA :: 58.208 CB :: 39.697 CG :: 26.336 CD1 :: 26.157 CD2 :: 21.592 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 :: 8.203 HA :: 4.088 HB2 :: 2.008 HB3 :: 1.352 HG :: 1.895 HD1 :: 1.009 HD2 :: 0.725 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 :: 119.417 Ave N Shift Values>> N :: 121.98(4.07) R79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.34 C 0.33 K 0.22 L 0.06 G 0.01 C Shift Assignments>> C :: 177.386 CA :: 59.017 CB :: 28.926 CG :: 26.952 CD :: 42.328 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 :: 8.064 HA :: 3.773 HB2 :: 1.635 HB3 :: 1.430 HG2 :: 1.492 HG3 :: 1.450 HD2 :: 3.154 HD3 :: 3.092 HE :: 7.453 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 :: 117.926 NE :: 106.922 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) H80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.39 H 0.32 C 0.28 C Shift Assignments>> C :: 178.040 CA :: 59.334 CB :: 29.476 CD2 :: 119.481 CE1 :: 137.555 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 :: 8.177 HA :: 4.349 HB2 :: 3.389 HB3 :: 3.324 HD2 :: 7.084 HE1 :: 8.229 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 :: 120.401 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) L81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 L 0.38 R 0.19 K 0.02 C Shift Assignments>> C :: 179.518 CA :: 58.700 CB :: 41.759 CG :: 28.104 CD1 :: 25.879 CD2 :: 23.992 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 :: 8.004 HA :: 3.908 HB2 :: 1.946 HB3 :: 1.347 HG :: 1.823 HD1 :: 0.925 HD2 :: 0.883 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 :: 118.398 Ave N Shift Values>> N :: 121.98(4.07) E82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.34 I 0.2 K 0.06 Q 0.02 C Shift Assignments>> C :: 180.657 CA :: 59.350 CB :: 29.766 CG :: 36.397 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 :: 8.652 HA :: 4.151 HB2 :: 2.295 HB3 :: 2.073 HG2 :: 2.327 HG3 :: 2.173 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 :: 121.767 Ave N Shift Values>> N :: 120.68(3.68) Q83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 Q 0.23 K 0.22 E 0.13 R 0.06 I 0.04 C Shift Assignments>> C :: 177.822 CA :: 58.525 CB :: 28.150 CG :: 34.190 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 :: 8.219 HA :: 4.074 HB2 :: 2.269 HB3 :: 2.114 HG2 :: 2.619 HG3 :: 2.437 HE21 :: 7.469 HE22 :: 6.817 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 :: 120.538 NE2 :: 111.240 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) K84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.44 C 0.41 R 0.13 C Shift Assignments>> C :: 176.466 CA :: 56.178 CB :: 33.119 CG :: 24.652 CD :: 29.208 CE :: 41.803 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 :: 7.490 HA :: 4.312 HB2 :: 1.983 HB3 :: 1.747 HG2 :: 1.490 HG3 :: 1.490 HD2 :: 1.573 HD3 :: 1.573 HE2 :: 2.896 HE3 :: 2.827 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 :: 116.241 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) G85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 C 0.1 L 0.06 R 0.01 C Shift Assignments>> C :: 174.794 CA :: 45.994 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.858 HA2 :: 4.180 HA3 :: 3.914 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.578 Ave N Shift Values>> N :: 109.91(4.29) L86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.54 C 0.23 R 0.09 G 0.07 A 0.03 C Shift Assignments>> C :: 175.690 CA :: 54.690 CB :: 43.189 CG :: 27.024 CD1 :: 25.472 CD2 :: 22.958 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 :: 7.858 HA :: 4.438 HB2 :: 1.603 HB3 :: 1.442 HG :: 1.445 HD1 :: 0.887 HD2 :: 0.834 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 :: 118.424 Ave N Shift Values>> N :: 121.98(4.07) L87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.44 G 0.29 C 0.2 R 0.04 C Shift Assignments>> C :: 175.521 CA :: 54.464 CB :: 44.506 CG :: 26.897 CD1 :: 25.840 CD2 :: 24.691 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 :: 7.301 HA :: 4.498 HB2 :: 1.353 HB3 :: 1.128 HG :: 1.269 HD1 :: 0.754 HD2 :: 0.809 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 :: 119.821 Ave N Shift Values>> N :: 121.98(4.07) F88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.57 C 0.42 C Shift Assignments>> C :: 174.891 CA :: 57.223 CB :: 39.425 CD1 :: 131.750 CD2 :: 131.750 CE1 :: 131.402 CE2 :: 131.402 CZ :: 129.465 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 :: 8.524 HA :: 4.649 HB2 :: 3.129 HB3 :: 2.965 HD1 :: 7.232 HD2 :: 7.232 HE1 :: 7.282 HE2 :: 7.282 HZ :: 7.214 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 :: 121.939 Ave N Shift Values>> N :: 120.69(4.18) S89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.309 CA :: 57.891 CB :: 64.446 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.083 HA :: 4.468 HB2 :: 3.884 HB3 :: 3.774 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 :: 116.204 Ave N Shift Values>> N :: 116.3(3.95) G90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.58 L 0.17 R 0.11 C 0.09 F 0.01 D 0.01 C Shift Assignments>> C :: 171.668 CA :: 44.749 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.970 HA2 :: 4.171 HA3 :: 4.077 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.117 Ave N Shift Values>> N :: 109.91(4.29) P91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.81 C 0.18 C Shift Assignments>> C :: 177.507 CA :: 63.309 CB :: 32.295 CG :: 27.199 CD :: 49.810 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 :: 4.534 HB2 :: 2.351 HB3 :: 2.038 HG2 :: 2.065 HG3 :: 2.065 HD2 :: 3.657 HD3 :: 3.657 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) S92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.770 CA :: 58.665 CB :: 63.953 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.626 HA :: 4.532 HB2 :: 3.963 HB3 :: 3.963 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 :: 116.676 Ave N Shift Values>> N :: 116.3(3.95) S93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.970 CA :: 58.419 CB :: 64.199 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.329 HA :: 4.519 HB2 :: 3.924 HB3 :: 3.924 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 :: 117.589 Ave N Shift Values>> N :: 116.3(3.95) G94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.12 L 0.05 C Shift Assignments>> C :: 178.985 CA :: 46.393 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.079 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 116.760 Ave N Shift Values>> N :: 109.91(4.29) ########################################################################### Overall Results: #Consistent: 90 #Clerical: 0 #Suspicious: 4 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 92 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 2 Shift Relative Order (SRO) Results: #Consistent: 94 #Suspicious: 0 C Shift Results: #Consistent: 390 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 516 #Duplicate: 0 #Unknown: 0 #Suspicious: 6 #Anomalous: 0 N Shift Results: #Consistent: 98 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: I42 HG2 = -0.183(S), Expected = 0.80, Std = 0.2900, ChiSquare = 6.9981e-04 Q43 HB3 = 0.195(S), Expected = 2.04, Std = 0.2900, ChiSquare = 1.9905e-10 Q43 HG3 = 0.528(S), Expected = 2.32, Std = 0.2900, ChiSquare = 6.4382e-10 N44 HB2 = 3.978(S), Expected = 2.80, Std = 0.3400, ChiSquare = 5.3081e-04 K68 HG2 = -0.150(S), Expected = 1.38, Std = 0.2700, ChiSquare = 1.4560e-08 K68 HG3 = -0.416(S), Expected = 1.37, Std = 0.2900, ChiSquare = 7.3381e-10