M1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable A2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.83 M 0.13 C 0.02 C Shift Assignments>> C :: 177.136 CA :: 51.482 CB :: 19.392 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.455 HA :: 4.125 HB :: 1.454 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.606 Ave N Shift Values>> N :: 123.23(3.7) V3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.7 C 0.29 C Shift Assignments>> C :: 174.762 CA :: 61.843 CB :: 32.739 CG1 :: 21.054 CG2 :: 21.162 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 :: 7.906 HA :: 4.162 HB :: 1.892 HG1 :: 0.919 HG2 :: 0.874 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 :: 118.836 Ave N Shift Values>> N :: 121.02(4.96) S4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.106 CA :: 56.586 CB :: 65.093 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.430 HA :: 4.528 HB2 :: 3.908 HB3 :: 4.217 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 :: 121.260 Ave N Shift Values>> N :: 116.3(3.95) E5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.26 I 0.26 K 0.08 Q 0.04 C Shift Assignments>> C :: 178.068 CA :: 60.111 CB :: 28.701 CG :: 35.928 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 :: 9.054 HA :: 3.753 HB2 :: 1.999 HB3 :: 2.038 HG2 :: 2.116 HG3 :: 2.241 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 :: 123.004 Ave N Shift Values>> N :: 120.68(3.68) S6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.297 CA :: 61.428 CB :: 62.110 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.363 HA :: 4.013 HB2 :: 3.823 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 :: 113.239 Ave N Shift Values>> N :: 116.3(3.95) Q7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 Q 0.24 K 0.23 E 0.11 R 0.07 I 0.02 M 0.02 C Shift Assignments>> C :: 179.056 CA :: 58.422 CB :: 28.278 CG :: 33.933 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 :: 7.735 HA :: 3.996 HB2 :: 2.189 HB3 :: 2.023 HG2 :: 2.348 HE21 :: 7.370 HE22 :: 6.870 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 :: 122.436 NE2 :: 111.567 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) L8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.48 C 0.33 R 0.14 G 0.02 C Shift Assignments>> C :: 178.136 CA :: 57.855 CB :: 42.506 CG :: 27.059 CD1 :: 25.134 CD2 :: 25.846 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 :: 8.123 HA :: 3.996 HB2 :: 1.369 HB3 :: 1.792 HG :: 1.603 HD1 :: 0.780 HD2 :: 0.758 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 :: 121.453 Ave N Shift Values>> N :: 121.98(4.07) K9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.65 K 0.33 M 0.01 C Shift Assignments>> C :: 178.721 CA :: 59.909 CB :: 32.348 CG :: 26.756 CD :: 29.558 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 :: 8.227 HA :: 3.519 HB2 :: 1.745 HB3 :: 1.806 HG2 :: 1.264 HG3 :: 1.540 HD2 :: 1.596 HE2 :: 2.833 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 :: 116.467 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) K10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.49 C 0.47 M 0.02 C Shift Assignments>> C :: 179.619 CA :: 58.727 CB :: 32.182 CG :: 24.986 CD :: 29.027 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 :: 7.123 HA :: 4.009 HB2 :: 1.886 HG2 :: 1.393 HG3 :: 1.541 HD2 :: 1.633 HE2 :: 2.943 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 :: 116.631 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) M11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 M 0.42 I 0.02 C Shift Assignments>> C :: 177.252 CA :: 59.543 CB :: 33.965 CG :: 32.700 CE :: 16.879 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 7.836 HA :: 4.018 HB2 :: 1.981 HB3 :: 2.316 HG2 :: 2.409 HG3 :: 2.798 HE :: 1.884 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 119.729 Ave N Shift Values>> N :: 120.1(3.88) V12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.72 V 0.25 A 0.01 C Shift Assignments>> C :: 177.009 CA :: 59.127 CB :: 29.545 CG1 :: 21.354 CG2 :: 19.105 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 :: 7.213 HA :: 4.434 HB :: 1.818 HG1 :: 0.201 HG2 :: 0.683 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 :: 106.795 Ave N Shift Values>> N :: 121.02(4.96) S13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.236 CA :: 62.097 CB :: 63.277 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.018 HA :: 4.049 HB2 :: 4.011 HB3 :: 4.108 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 :: 115.990 Ave N Shift Values>> N :: 116.3(3.95) K14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.51 C 0.44 M 0.03 C Shift Assignments>> C :: 176.910 CA :: 55.421 CB :: 31.257 CG :: 24.907 CD :: 28.471 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 :: 8.664 HA :: 4.569 HB2 :: 1.782 HB3 :: 2.118 HG2 :: 1.430 HG3 :: 1.535 HD2 :: 1.692 HE2 :: 3.009 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 :: 118.086 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) Y15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.68 Y 0.17 H 0.1 W 0.04 HN Overlap>> D104 C Shift Assignments>> C :: 176.000 CA :: 59.560 CB :: 34.923 CD1 :: 131.456 CE1 :: 120.194 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 :: 8.328 HA :: 4.258 HB2 :: 3.480 HD1 :: 7.428 HE1 :: 6.793 HH :: 9.456 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 :: 125.183 Ave N Shift Values>> N :: 120.79(4.69) K16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.42 C 0.39 R 0.16 M 0.01 C Shift Assignments>> C :: 177.137 CA :: 58.808 CB :: 32.906 CG :: 25.017 CD :: 28.825 CE :: 41.935 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 :: 7.866 HA :: 3.791 HB2 :: 1.128 HB3 :: 1.492 HG2 :: 0.693 HG3 :: 1.040 HD2 :: 1.405 HE2 :: 2.792 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 :: 121.634 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) Y17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.66 Y 0.15 H 0.14 W 0.03 C Shift Assignments>> C :: 177.371 CA :: 54.781 CB :: 34.995 CD1 :: 134.186 CE1 :: 117.854 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 :: 10.030 HA :: 4.977 HB2 :: 3.166 HB3 :: 3.744 HD1 :: 7.164 HE1 :: 6.641 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 :: 122.433 Ave N Shift Values>> N :: 120.79(4.69) R18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 R 0.39 G 0.16 K 0.04 C Shift Assignments>> C :: 177.438 CA :: 60.864 CB :: 30.691 CG :: 26.308 CD :: 43.586 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 :: 7.661 HA :: 3.728 HB2 :: 1.859 HB3 :: 2.032 HG2 :: 1.551 HG3 :: 1.855 HD2 :: 3.230 HD3 :: 3.299 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 :: 122.974 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) D19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.27 F 0.25 C 0.2 I 0.1 D 0.05 L 0.04 E 0.02 N 0.01 C Shift Assignments>> C :: 179.453 CA :: 57.849 CB :: 39.221 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 :: 8.680 HA :: 4.340 HB2 :: 2.725 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 :: 118.335 Ave N Shift Values>> N :: 120.73(4.2) L20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.47 C 0.39 R 0.1 G 0.01 HN Overlap>> M131 C Shift Assignments>> C :: 179.593 CA :: 57.912 CB :: 42.086 CG :: 26.803 CD1 :: 22.707 CD2 :: 25.614 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 :: 8.236 HA :: 4.157 HB2 :: 1.428 HB3 :: 1.915 HG :: 1.905 HD1 :: 0.951 HD2 :: 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 :: 120.325 Ave N Shift Values>> N :: 121.98(4.07) T21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.98 C 0.01 C Shift Assignments>> C :: 177.531 CA :: 68.881 CB :: 68.075 CG2 :: 21.288 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 :: 8.106 HA :: 3.848 HB :: 4.301 HG1 :: 3.988 HG2 :: 0.954 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 :: 116.390 Ave N Shift Values>> N :: 115.7(5.05) V22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.94 C 0.05 C Shift Assignments>> CA :: 67.780 CB :: 31.646 CG1 :: 24.037 CG2 :: 21.383 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 :: 8.758 HA :: 3.260 HB :: 2.146 HG1 :: 0.850 HG2 :: 0.875 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 :: 123.437 Ave N Shift Values>> N :: 121.02(4.96) R23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.43 C 0.35 K 0.12 G 0.06 L 0.02 C Shift Assignments>> C :: 178.967 CA :: 59.334 CB :: 29.813 CG :: 26.574 CD :: 43.212 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 :: 7.984 HA :: 3.923 HB2 :: 1.954 HB3 :: 2.010 HG2 :: 1.719 HD2 :: 3.212 HD3 :: 3.262 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 :: 118.332 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) E24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.46 C 0.31 E 0.19 K 0.01 C Shift Assignments>> C :: 179.163 CA :: 61.146 CB :: 29.763 CG :: 37.235 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 :: 7.932 HA :: 4.138 HB2 :: 2.644 HB3 :: 2.157 HG2 :: 2.960 HG3 :: 2.464 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 :: 115.876 Ave N Shift Values>> N :: 120.68(3.68) T25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.94 C 0.05 C Shift Assignments>> C :: 176.296 CA :: 68.415 CB :: 67.251 CG2 :: 22.258 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 :: 7.967 HA :: 3.599 HB :: 4.117 HG1 :: 3.911 HG2 :: 0.994 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 :: 116.214 Ave N Shift Values>> N :: 115.7(5.05) V26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.95 C 0.04 C Shift Assignments>> C :: 178.999 CA :: 66.857 CB :: 31.386 CG1 :: 23.212 CG2 :: 20.956 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 :: 8.740 HA :: 3.441 HB :: 2.062 HG1 :: 0.924 HG2 :: 0.834 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 :: 121.646 Ave N Shift Values>> N :: 121.02(4.96) N27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.26 Y 0.18 E 0.15 N 0.12 F 0.11 D 0.04 M 0.03 I 0.03 L 0.01 K 0.01 C Shift Assignments>> C :: 177.428 CA :: 55.852 CB :: 37.592 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 :: 7.838 HA :: 4.431 HB2 :: 2.780 HB3 :: 3.006 HD21 :: 7.602 HD22 :: 6.851 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 :: 119.125 ND2 :: 110.660 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) V28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.86 C 0.13 C Shift Assignments>> C :: 177.506 CA :: 66.634 CB :: 31.829 CG1 :: 22.665 CG2 :: 24.779 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 :: 7.770 HA :: 3.952 HB :: 2.222 HG1 :: 0.928 HG2 :: 1.053 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 :: 118.056 Ave N Shift Values>> N :: 121.02(4.96) I29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.82 C 0.16 C Shift Assignments>> C :: 177.093 CA :: 63.967 CB :: 36.514 CG1 :: 25.586 CG2 :: 18.046 CD1 :: 13.691 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 :: 8.392 HA :: 4.329 HB :: 2.258 HG2 :: 0.867 HG12 :: 1.574 HG13 :: 1.354 HD1 :: 0.759 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 :: 114.845 Ave N Shift Values>> N :: 121.6(4.72) T30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.98 C 0.01 C Shift Assignments>> C :: 174.207 CA :: 65.420 CB :: 69.069 CG2 :: 20.867 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 :: 7.578 HA :: 3.931 HB :: 4.162 HG2 :: 1.179 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 :: 115.220 Ave N Shift Values>> N :: 115.7(5.05) L31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.52 C 0.28 G 0.15 R 0.03 C Shift Assignments>> C :: 176.585 CA :: 56.131 CB :: 43.810 CG :: 26.881 CD1 :: 23.989 CD2 :: 24.239 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 :: 6.786 HA :: 4.153 HB2 :: 1.143 HB3 :: 1.366 HG :: 0.926 HD1 :: 0.756 HD2 :: 0.663 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 :: 121.513 Ave N Shift Values>> N :: 121.98(4.07) Y32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 Y 0.4 H 0.03 C Shift Assignments>> C :: 175.210 CA :: 57.960 CB :: 35.917 CD1 :: 132.574 CE1 :: 117.539 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 :: 8.635 HA :: 4.476 HB2 :: 3.219 HB3 :: 2.719 HD1 :: 7.090 HE1 :: 6.645 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 :: 122.269 Ave N Shift Values>> N :: 120.79(4.69) K33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.42 C 0.4 R 0.16 C Shift Assignments>> C :: 177.426 CA :: 57.548 CB :: 32.208 CG :: 24.696 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 :: 7.430 HA :: 4.316 HB2 :: 1.877 HB3 :: 1.675 HG2 :: 1.304 HG3 :: 1.421 HE2 :: 3.002 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 :: 115.811 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) D34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.27 L 0.22 K 0.13 C 0.1 N 0.08 F 0.06 R 0.06 Y 0.04 C Shift Assignments>> C :: 175.778 CA :: 53.691 CB :: 41.675 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 :: 8.784 HA :: 4.989 HB2 :: 2.933 HB3 :: 2.298 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 :: 118.694 Ave N Shift Values>> N :: 120.73(4.2) L35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.42 C 0.23 G 0.18 A 0.14 C Shift Assignments>> C :: 174.756 CA :: 53.733 CB :: 43.510 CD1 :: 22.464 CD2 :: 25.625 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 :: 7.480 HA :: 4.445 HB2 :: 0.784 HB3 :: 1.980 HG :: 1.500 HD1 :: 0.282 HD2 :: 0.520 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 :: 119.418 Ave N Shift Values>> N :: 121.98(4.07) K36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 K 0.25 M 0.11 A 0.03 Q 0.01 R 0.01 C Shift Assignments>> CA :: 52.293 CB :: 34.471 CG :: 24.022 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 :: 8.349 HA :: 4.839 HB2 :: 1.699 HB3 :: 1.729 HG2 :: 1.326 HD2 :: 1.572 HE2 :: 2.900 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 :: 121.092 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) P37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.6 C 0.39 C Shift Assignments>> C :: 176.049 CA :: 61.238 CB :: 32.025 CG :: 27.620 CD :: 50.230 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 :: 5.317 HB2 :: 1.958 HB3 :: 1.814 HG2 :: 1.633 HG3 :: 2.061 HD2 :: 3.683 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) V38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 V 0.49 C Shift Assignments>> C :: 173.339 CA :: 60.837 CB :: 35.605 CG1 :: 20.723 CG2 :: 21.369 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 :: 9.059 HA :: 4.066 HB :: 1.893 HG1 :: 0.682 HG2 :: 0.711 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 :: 124.210 Ave N Shift Values>> N :: 121.02(4.96) L39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.61 C 0.18 G 0.16 R 0.02 A 0.01 C Shift Assignments>> C :: 176.213 CA :: 53.246 CB :: 43.668 CG :: 26.810 CD1 :: 24.427 CD2 :: 23.933 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 :: 8.102 HA :: 5.064 HB2 :: 1.431 HB3 :: 1.515 HG :: 1.458 HD1 :: 0.898 HD2 :: 0.852 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 :: 123.847 Ave N Shift Values>> N :: 121.98(4.07) D40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.57 L 0.17 C 0.1 R 0.07 D 0.04 C Shift Assignments>> C :: 173.892 CA :: 52.450 CB :: 44.545 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 :: 9.188 HA :: 5.004 HB2 :: 2.506 HB3 :: 2.777 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 :: 124.407 Ave N Shift Values>> N :: 120.73(4.2) S41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.656 CA :: 58.245 CB :: 63.561 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.884 HA :: 4.712 HB2 :: 3.641 HB3 :: 3.549 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 :: 115.711 Ave N Shift Values>> N :: 116.3(3.95) Y42 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> Y 0.57 C 0.41 C Shift Assignments>> C :: 173.375 CA :: 57.188 CB :: 40.650 CE1 :: 116.945 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 :: 8.822 HA :: 3.616 HB2 :: 2.093 HB3 :: 1.548(S) HD1 :: 4.763 HE1 :: 5.676 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 :: 129.992 Ave N Shift Values>> N :: 120.79(4.69) V43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.62 C 0.37 C Shift Assignments>> C :: 175.628 CA :: 60.911 CB :: 31.719 CG1 :: 20.718 CG2 :: 20.500 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 :: 6.543 HA :: 4.195 HB :: 1.417 HG1 :: 0.589 HG2 :: 0.723 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 :: 125.733 Ave N Shift Values>> N :: 121.02(4.96) F44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.37 Y 0.37 C 0.25 C Shift Assignments>> C :: 177.872 CA :: 58.048 CB :: 39.938 CD1 :: 132.350 CE1 :: 130.950 CZ :: 128.928 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 :: 8.726 HA :: 4.284 HB2 :: 3.237 HB3 :: 3.008 HD1 :: 7.341 HE1 :: 7.128 HZ :: 7.011 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 :: 125.788 Ave N Shift Values>> N :: 120.69(4.18) N45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.25 Y 0.19 N 0.13 F 0.12 E 0.12 D 0.05 I 0.03 M 0.02 L 0.01 C Shift Assignments>> C :: 175.390 CA :: 55.849 CB :: 37.790 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 :: 9.072 HA :: 4.319 HB2 :: 2.855 HD21 :: 7.686 HD22 :: 6.961 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 :: 119.593 ND2 :: 112.646 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) D46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.36 D 0.26 C 0.13 Y 0.07 L 0.06 F 0.06 C Shift Assignments>> C :: 177.044 CA :: 53.052 CB :: 39.581 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 :: 7.763 HA :: 4.487 HB2 :: 2.561 HB3 :: 3.034 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 :: 115.787 Ave N Shift Values>> N :: 120.73(4.2) G47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.64 L 0.14 C 0.09 R 0.08 F 0.01 C Shift Assignments>> C :: 174.336 CA :: 44.924 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.136 HA2 :: 3.469 HA3 :: 4.258 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.958 Ave N Shift Values>> N :: 109.91(4.29) S48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.144 CA :: 58.548 CB :: 64.249 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.183 HA :: 4.383 HB2 :: 3.835 HB3 :: 3.925 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 :: 118.316 Ave N Shift Values>> N :: 116.3(3.95) S49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.9 T 0.09 C Shift Assignments>> C :: 174.619 CA :: 56.408 CB :: 66.373 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.433 HA :: 5.774 HB2 :: 3.562 HB3 :: 3.598 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 :: 112.868 Ave N Shift Values>> N :: 116.3(3.95) R50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 R 0.17 K 0.16 G 0.11 C Shift Assignments>> C :: 174.205 CA :: 54.683 CB :: 34.472 CG :: 26.936 CD :: 43.289 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 :: 8.624 HA :: 4.660 HB2 :: 1.814 HB3 :: 1.896 HG2 :: 1.631 HG3 :: 1.703 HD2 :: 3.275 HD3 :: 3.060 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 :: 120.974 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) E51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.34 K 0.3 E 0.2 I 0.05 P 0.03 R 0.02 M 0.02 C Shift Assignments>> C :: 174.978 CB :: 28.742 CG :: 34.488 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 :: 8.594 HA :: 4.742 HB2 :: 1.976 HG2 :: 2.227 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 :: 123.364 Ave N Shift Values>> N :: 120.68(3.68) L52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.37 C 0.28 A 0.26 L 0.07 C Shift Assignments>> C :: 174.890 CA :: 53.119 CB :: 46.759 CD1 :: 26.376 CD2 :: 22.108 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 :: 9.175 HA :: 5.091 HB2 :: 1.901 HB3 :: 2.021 HG :: 1.650 HD1 :: 0.669 HD2 :: 1.102 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 :: 128.370 Ave N Shift Values>> N :: 121.98(4.07) M53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.4 C 0.32 A 0.26 C Shift Assignments>> C :: 174.299 CA :: 54.896 CB :: 34.451 CG :: 32.176 CE :: 17.980 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 9.018 HA :: 5.077 HB2 :: 1.431 HB3 :: 1.898 HG2 :: 2.175 HE :: 1.593 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 120.736 Ave N Shift Values>> N :: 120.1(3.88) N54 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> D 0.31 C 0.19 N 0.17 L 0.14 G 0.04 K 0.04 R 0.03 F 0.02 Y 0.01 C Shift Assignments>> C :: 173.586 CA :: 50.099 CB :: 41.803 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 :: 9.149 HA :: 5.209 HB2 :: 1.267(S) HB3 :: 1.538(S) HD21 :: 3.741(S) HD22 :: 5.638 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 :: 122.118 ND2 :: 109.294 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) SRO Rule Breaks>> (HD21 > HA : 0.9966) L55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.59 G 0.18 C 0.17 A 0.02 K 0.02 C Shift Assignments>> C :: 175.611 CA :: 52.977 CB :: 43.565 CD1 :: 25.859 CD2 :: 23.916 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 :: 8.395 HA :: 4.826 HB2 :: 1.554 HB3 :: 0.922 HG :: 1.430 HD1 :: 0.734 HD2 :: 0.582 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 :: 116.733 Ave N Shift Values>> N :: 121.98(4.07) T56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.86 C 0.13 C Shift Assignments>> C :: 173.994 CA :: 60.717 CB :: 71.642 CG2 :: 20.667 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 :: 8.609 HA :: 4.955 HB :: 3.789 HG2 :: 1.065 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 :: 117.742 Ave N Shift Values>> N :: 115.7(5.05) G57 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.48 L 0.19 R 0.15 C 0.1 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> C :: 172.047 CA :: 44.551 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.039 HA2 :: 5.473(S) HA3 :: 3.753 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 115.483 Ave N Shift Values>> N :: 109.91(4.29) T58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.68 C 0.28 A 0.02 C Shift Assignments>> C :: 172.492 CA :: 58.696 CB :: 71.855 CG2 :: 20.993 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 :: 7.519 HA :: 5.534 HB :: 3.386 HG2 :: 0.739 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 :: 112.558 Ave N Shift Values>> N :: 115.7(5.05) I59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> CB :: 39.959 CG1 :: 23.962 CG2 :: 19.167 CD1 :: 13.815 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 :: 7.941 HA :: 4.735 HB :: 1.374 HG2 :: 0.616 HG12 :: 0.987 HG13 :: 1.643 HD1 :: 0.636 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 :: 110.393 Ave N Shift Values>> N :: 121.6(4.72) P60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.58 C 0.4 C Shift Assignments>> C :: 176.535 CA :: 61.215 CB :: 30.796 CG :: 27.145 CD :: 49.801 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 :: 4.980 HB2 :: 1.828 HG2 :: 2.236 HG3 :: 2.570 HD2 :: 3.587 HD3 :: 3.870 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) V61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.7 V 0.27 I 0.01 A 0.01 C Shift Assignments>> CA :: 58.937 CB :: 35.810 CG1 :: 22.082 CG2 :: 20.457 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 :: 9.501 HA :: 4.689 HB :: 2.079 HG1 :: 1.010 HG2 :: 0.957 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 :: 125.751 Ave N Shift Values>> N :: 121.02(4.96) P62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.61 C 0.38 C Shift Assignments>> C :: 176.944 CA :: 61.563 CB :: 31.759 CG :: 27.103 CD :: 51.325 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 :: 5.175 HB2 :: 2.110 HB3 :: 1.913 HG2 :: 1.924 HG3 :: 2.246 HD2 :: 3.821 HD3 :: 3.868 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) Y63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.58 C 0.41 C Shift Assignments>> C :: 174.992 CA :: 58.768 CB :: 40.315 CD1 :: 133.875 CE1 :: 117.907 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 :: 9.380 HA :: 4.897 HB2 :: 2.931 HB3 :: 3.196 HD1 :: 7.371 HE1 :: 6.899 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 :: 123.472 Ave N Shift Values>> N :: 120.79(4.69) R64 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.29 R 0.28 L 0.21 G 0.1 K 0.08 C Shift Assignments>> C :: 175.661 CA :: 57.039 CB :: 28.083 CG :: 26.759 CD :: 43.683 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 :: 9.313 HA :: 3.639 HB2 :: 1.330 HB3 :: 1.789 HG2 :: 0.960 HG3 :: 0.438(S) HD2 :: 2.902 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 :: 127.039 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) G65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.78 L 0.08 C 0.07 R 0.03 C Shift Assignments>> C :: 173.657 CA :: 45.354 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.531 HA2 :: 3.530 HA3 :: 4.161 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 103.568 Ave N Shift Values>> N :: 109.91(4.29) N66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.29 L 0.21 C 0.14 N 0.1 R 0.07 K 0.06 G 0.04 F 0.03 Y 0.02 C Shift Assignments>> C :: 173.100 CA :: 51.266 CB :: 42.273 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 :: 7.670 HA :: 4.963 HB2 :: 2.521 HB3 :: 2.254 HD21 :: 7.155 HD22 :: 6.955 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 :: 118.215 ND2 :: 113.361 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) T67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.94 C 0.05 C Shift Assignments>> C :: 173.049 CA :: 62.896 CB :: 69.143 CG2 :: 21.824 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 :: 8.415 HA :: 4.444 HB :: 3.703 HG2 :: 0.867 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 :: 117.534 Ave N Shift Values>> N :: 115.7(5.05) Y68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.25 Y 0.24 C 0.18 D 0.08 L 0.07 I 0.07 K 0.04 N 0.02 C Shift Assignments>> C :: 173.045 CA :: 57.489 CB :: 39.937 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 :: 8.687 HA :: 4.119 HB2 :: 2.980 HB3 :: 2.417 HD1 :: 6.985 HE1 :: 6.726 HH :: 9.843 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 :: 127.585 Ave N Shift Values>> N :: 120.79(4.69) N69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.59 C 0.19 D 0.09 Y 0.04 F 0.03 E 0.01 L 0.01 M 0.01 C Shift Assignments>> C :: 173.246 CA :: 51.504 CB :: 37.970 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 :: 8.332 HA :: 5.097 HB2 :: 3.080 HB3 :: 2.173 HD21 :: 6.954 HD22 :: 7.133 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 :: 121.973 ND2 :: 116.036 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) I70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.92 A 0.05 I 0.02 C Shift Assignments>> CA :: 56.327 CB :: 36.946 CG2 :: 15.480 CD1 :: 8.646 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 :: 8.602 HA :: 4.360 HB :: 2.077 HG2 :: 0.586 HG12 :: 1.177 HG13 :: 1.708 HD1 :: 0.692 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 :: 125.080 Ave N Shift Values>> N :: 121.6(4.72) P71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.92 C 0.07 C Shift Assignments>> C :: 176.720 CA :: 61.265 CD :: 49.889 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 :: 4.973 HB2 :: 1.760 HB3 :: 2.253 HD2 :: 3.415 HD3 :: 3.963 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) I72 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.7 C 0.25 I 0.02 A 0.01 C Shift Assignments>> C :: 174.662 CA :: 58.890 CB :: 44.847(M) CG2 :: 17.210 CD1 :: 15.157 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 :: 8.763 HA :: 5.360 HB :: 1.695 HG2 :: 0.841 HD1 :: 0.624 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 :: 117.261 Ave N Shift Values>> N :: 121.6(4.72) C73 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> W 0.14 E 0.13 Q 0.13 K 0.13 H 0.12 C 0.11 R 0.1 I 0.04 M 0.03 L 0.01 C Shift Assignments>> C :: 173.146 CA :: 57.758 CB :: 29.246 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.867 HA :: 5.128 HB2 :: 2.377 HB3 :: 2.626 HG :: 1.210(M) 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 :: 119.997 Ave N Shift Values>> N :: 119.95(4.79) L74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.64 C 0.18 G 0.1 R 0.05 C Shift Assignments>> C :: 174.997 CA :: 52.804 CB :: 43.128 CG :: 26.650 CD1 :: 24.898 CD2 :: 25.850 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 :: 9.030 HA :: 5.068 HB2 :: 1.087 HB3 :: 1.793 HG :: 1.564 HD1 :: 0.736 HD2 :: 0.680 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 :: 127.547 Ave N Shift Values>> N :: 121.98(4.07) W75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.52 C 0.43 H 0.03 C Shift Assignments>> C :: 175.561 CA :: 57.247 CB :: 29.517 CD1 :: 127.047 CE3 :: 120.156 CZ2 :: 115.321 CZ3 :: 121.909 CH2 :: 124.424 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 :: 9.684 HA :: 4.331 HB2 :: 2.557 HB3 :: 3.163 HD1 :: 7.304 HE1 :: 10.232 HE3 :: 7.230 HZ2 :: 7.362 HZ3 :: 7.124 HH2 :: 6.835 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 :: 124.130 NE1 :: 130.409 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) L76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.6 C 0.31 A 0.06 R 0.01 C Shift Assignments>> C :: 176.784 CA :: 53.433 CB :: 40.699 CG :: 27.787 CD1 :: 23.198 CD2 :: 24.944 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 :: 8.403 HA :: 4.560 HB2 :: 1.198 HB3 :: 1.954 HG :: 1.257 HD1 :: 0.087 HD2 :: 0.369 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 :: 122.253 Ave N Shift Values>> N :: 121.98(4.07) L77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.45 C 0.37 A 0.14 V 0.01 C Shift Assignments>> C :: 176.907 CA :: 55.279 CD1 :: 22.083 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 :: 8.652 HA :: 4.313 HB2 :: 1.550 HB3 :: 1.780 HD1 :: 0.738 HD2 :: 0.786 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 :: 123.833 Ave N Shift Values>> N :: 121.98(4.07) D78 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.19 Y 0.18 N 0.18 D 0.16 F 0.15 L 0.05 E 0.02 I 0.02 C Shift Assignments>> C :: 177.300 CA :: 55.384 CB :: 38.956 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 :: 8.405 HA :: 2.959(S) HB2 :: 2.066 HB3 :: 2.519 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 :: 115.501 Ave N Shift Values>> N :: 120.73(4.2) T79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.4 T 0.4 C 0.07 I 0.03 M 0.02 L 0.02 K 0.01 C Shift Assignments>> C :: 174.307 CA :: 60.738 CG2 :: 22.338 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 :: 6.906 HA :: 4.376 HB :: 4.850 HG2 :: 1.189 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 :: 107.339 Ave N Shift Values>> N :: 115.7(5.05) Y80 Overall: Suspicious Typing: Suspicious SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.66 F 0.33 C Shift Assignments>> CA :: 60.044 CB :: 38.573 CD1 :: 133.526 CE1 :: 133.197(S) 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 :: 8.425 HA :: 4.058 HB2 :: 3.532 HB3 :: 3.280 HD1 :: 7.257 HE1 :: 7.385 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 :: 127.225 Ave N Shift Values>> N :: 120.79(4.69) P81 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Suspicious N Shifts: Indeterminable PRTL>> C 0.9 A 0.08 C Shift Assignments>> C :: 175.438 CA :: 62.203 CB :: 33.989 CG :: 22.879(S) CD :: 50.255 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 :: 2.526(S) HB2 :: 1.424 HB3 :: 2.323 HG2 :: -0.389(S) HG3 :: 0.909 HD2 :: 2.913 HD3 :: 3.217 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) Y82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.57 C 0.42 C Shift Assignments>> C :: 175.213 CA :: 61.358 CB :: 37.128 CD1 :: 132.603 CE1 :: 117.166 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 :: 8.779 HA :: 4.189 HB2 :: 2.813 HB3 :: 3.142 HD1 :: 6.697 HE1 :: 5.965 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 :: 124.749 Ave N Shift Values>> N :: 120.79(4.69) N83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.34 N 0.25 C 0.16 L 0.12 K 0.03 F 0.03 Y 0.02 R 0.01 C Shift Assignments>> CA :: 50.549 CB :: 41.203 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 :: 6.707 HA :: 5.007 HB2 :: 2.638 HB3 :: 1.967 HD21 :: 7.917 HD22 :: 7.053 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 :: 114.815 ND2 :: 113.586 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) P84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.78 C 0.07 L 0.06 R 0.02 K 0.01 H 0.01 C Shift Assignments>> CG :: 25.924 CD :: 50.436 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>> HG2 :: 1.856 HG3 :: 2.201 HD2 :: 3.736 HD3 :: 3.448 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) P85 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> P 0.9 C 0.06 R 0.01 C Shift Assignments>> C :: 174.238 CB :: 31.987 CG :: 27.078 CD :: 49.111 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 :: 4.809 HB2 :: 1.802 HB3 :: 1.516 HG2 :: 1.373 HG3 :: 1.431 HD2 :: 2.329(S) 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) I86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.69 C 0.3 C Shift Assignments>> C :: 176.250 CA :: 61.486 CB :: 38.451 CG1 :: 27.122 CG2 :: 19.159 CD1 :: 13.042 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 :: 8.464 HA :: 4.033 HB :: 1.744 HG2 :: 0.912 HG12 :: 1.398 HG13 :: 0.974 HD1 :: 0.565 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 :: 121.401 Ave N Shift Values>> N :: 121.6(4.72) C87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.14 W 0.14 E 0.13 C 0.13 H 0.12 Q 0.09 M 0.09 K 0.08 V 0.02 I 0.01 C Shift Assignments>> C :: 172.680 CA :: 57.503 CB :: 30.862 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 9.052 HA :: 5.355 HB2 :: 2.769 HB3 :: 2.314 HG :: 1.802 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 :: 125.801 Ave N Shift Values>> N :: 119.95(4.79) F88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.29 C 0.29 Y 0.21 G 0.2 C Shift Assignments>> C :: 176.915 CA :: 56.464 CB :: 43.696 CD1 :: 131.466 CE1 :: 131.459 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 :: 9.238 HA :: 5.573 HB2 :: 3.106 HB3 :: 2.623 HD1 :: 7.212 HE1 :: 7.298 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 :: 120.514 Ave N Shift Values>> N :: 120.69(4.18) V89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.64 C 0.35 C Shift Assignments>> C :: 175.214 CA :: 61.209 CB :: 33.181 CG1 :: 21.381 CG2 :: 21.678 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 :: 9.369 HA :: 4.803 HB :: 1.795 HG1 :: 0.834 HG2 :: 0.761 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 :: 117.807 Ave N Shift Values>> N :: 121.02(4.96) K90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.94 R 0.04 C Shift Assignments>> CB :: 31.407 CG :: 23.037 CE :: 41.082 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 :: 7.691 HA :: 4.814 HB2 :: 1.306 HB3 :: 1.617 HG2 :: 1.078 HG3 :: 1.266 HD2 :: 1.530 HE2 :: 2.718 HE3 :: 2.900 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 :: 125.599 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) P91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.74 C 0.25 C Shift Assignments>> C :: 178.003 CA :: 62.437 CB :: 32.356 CG :: 27.116 CD :: 50.602 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 :: 4.199 HB2 :: 1.688 HB3 :: 2.083 HG2 :: 1.741 HG3 :: 2.003 HD2 :: 3.083 HD3 :: 3.879 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) T92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.4 V 0.39 C 0.07 M 0.03 I 0.03 L 0.02 K 0.01 C Shift Assignments>> C :: 176.196 CA :: 60.425 CG2 :: 22.136 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 :: 7.214 HA :: 4.562 HB :: 4.740 HG2 :: 1.255 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 :: 111.720 Ave N Shift Values>> N :: 115.7(5.05) S93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.108 CA :: 60.748 CB :: 62.788 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.819 HA :: 4.237 HB2 :: 3.936 HB3 :: 4.017 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 :: 113.267 Ave N Shift Values>> N :: 116.3(3.95) S94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.169 CA :: 57.683 CB :: 63.169 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.626 HA :: 4.611 HB2 :: 3.844 HB3 :: 4.037 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 :: 114.250 Ave N Shift Values>> N :: 116.3(3.95) M95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 A 0.32 M 0.29 C Shift Assignments>> C :: 174.335 CA :: 54.540 CB :: 36.408 CG :: 32.557 CE :: 17.445 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 7.650 HA :: 5.248 HB2 :: 1.769 HB3 :: 1.623 HG2 :: 2.107 HG3 :: 2.515 HE :: 1.747 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 119.972 Ave N Shift Values>> N :: 120.1(3.88) T96 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 :: 173.353 CA :: 59.752 CB :: 71.223 CG2 :: 20.805 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 :: 8.749 HA :: 4.516 HB :: 3.631 HG2 :: 1.088 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 :: 113.858 Ave N Shift Values>> N :: 115.7(5.05) I97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.7 C 0.29 HN Overlap>> R144 C Shift Assignments>> C :: 175.562 CA :: 61.175 CB :: 39.270 CG1 :: 28.988 CG2 :: 17.225 CD1 :: 13.195 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 :: 8.479 HA :: 4.354 HB :: 1.608 HG2 :: 0.783 HG12 :: 0.724 HG13 :: 1.537 HD1 :: 0.715 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 :: 125.279 Ave N Shift Values>> N :: 121.6(4.72) K98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.55 C 0.4 M 0.03 C Shift Assignments>> C :: 174.653 CA :: 53.431 CB :: 32.376 CG :: 24.632 CD :: 28.509 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 :: 8.114 HA :: 4.613 HB2 :: 1.442 HB3 :: 1.941 HG2 :: 1.261 HG3 :: 1.450 HD2 :: 1.615 HE2 :: 2.850 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 :: 131.532 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) T99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.92 C 0.07 C Shift Assignments>> C :: 175.100 CA :: 61.670 CB :: 69.720 CG2 :: 21.705 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 :: 8.078 HA :: 4.105 HB :: 4.345 HG2 :: 1.089 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 :: 117.373 Ave N Shift Values>> N :: 115.7(5.05) G100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.09 L 0.07 R 0.01 C Shift Assignments>> C :: 173.749 CA :: 45.731 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.752 HA2 :: 4.051 HA3 :: 4.149 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.438 Ave N Shift Values>> N :: 109.91(4.29) K101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.39 C 0.37 R 0.19 M 0.02 C Shift Assignments>> C :: 178.027 CA :: 58.325 CB :: 32.111 CG :: 24.281 CD :: 28.753 CE :: 41.689 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 :: 8.756 HA :: 3.883 HB2 :: 1.320 HB3 :: 1.392 HG2 :: 1.049 HG3 :: 1.183 HD2 :: 1.544 HE2 :: 2.894 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 :: 121.126 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) H102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.39 W 0.34 C 0.25 C Shift Assignments>> C :: 173.801 CA :: 55.026 CB :: 29.707 CD2 :: 120.608 CE1 :: 135.968 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 :: 8.935 HA :: 5.684 HB2 :: 3.235 HB3 :: 3.820 HD2 :: 7.666 HE1 :: 8.746 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 :: 111.363 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) V103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 V 0.47 C Shift Assignments>> C :: 174.096 CA :: 60.625 CB :: 35.606 CG1 :: 21.284 CG2 :: 21.794 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 :: 7.173 HA :: 5.424 HB :: 2.038 HG1 :: 0.950 HG2 :: 0.974 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 :: 118.309 Ave N Shift Values>> N :: 121.02(4.96) D104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.25 D 0.23 C 0.13 R 0.11 G 0.09 N 0.05 K 0.05 F 0.02 Y 0.01 HN Overlap>> Y15 C Shift Assignments>> C :: 177.977 CA :: 51.695 CB :: 42.803 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 :: 8.368 HA :: 5.104 HB2 :: 2.855 HB3 :: 3.426 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 :: 125.210 Ave N Shift Values>> N :: 120.73(4.2) A105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.49 M 0.45 C 0.02 I 0.01 C Shift Assignments>> C :: 178.684 CA :: 54.468 CB :: 18.387 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.355 HA :: 3.868 HB :: 1.395 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 117.823 Ave N Shift Values>> N :: 123.23(3.7) N106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.45 D 0.19 C 0.15 Y 0.07 F 0.06 L 0.03 C Shift Assignments>> C :: 175.885 CA :: 52.901 CB :: 38.869 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 :: 8.142 HA :: 4.833 HB2 :: 3.066 HB3 :: 3.089 HD21 :: 8.042 HD22 :: 6.986 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 :: 113.583 ND2 :: 114.207 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) G107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.78 L 0.08 C 0.07 R 0.03 C Shift Assignments>> C :: 172.659 CA :: 45.325 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.748 HA2 :: 3.514 HA3 :: 4.358 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.734 Ave N Shift Values>> N :: 109.91(4.29) K108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.37 C 0.36 R 0.24 G 0.01 C Shift Assignments>> C :: 175.105 CA :: 57.306 CB :: 32.081 CD :: 29.176 CE :: 42.282 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 :: 8.392 HA :: 3.801 HB2 :: 1.379 HB3 :: 1.940 HG2 :: 0.575 HD2 :: 1.492 HE2 :: 2.655 HE3 :: 2.746 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 :: 124.476 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) I109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.6 C 0.39 C Shift Assignments>> C :: 175.356 CA :: 59.320 CB :: 39.381 CG1 :: 28.043 CG2 :: 17.077 CD1 :: 13.767 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 :: 7.762 HA :: 4.968 HB :: 1.329 HG2 :: 0.904 HG12 :: 1.157 HG13 :: 1.808 HD1 :: 0.862 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 :: 125.129 Ave N Shift Values>> N :: 121.6(4.72) Y110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.41 C 0.37 F 0.2 C Shift Assignments>> CA :: 56.819 CB :: 39.905 CD1 :: 133.826 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 :: 8.728 HA :: 4.656 HB2 :: 2.949 HD1 :: 7.021 HE1 :: 6.670 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 :: 127.282 Ave N Shift Values>> N :: 120.79(4.69) L111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> L 0.54 C 0.3 A 0.09 K 0.05 C Shift Assignments>> CA :: 51.437 CD1 :: 26.390 CD2 :: 23.463 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>> HA :: 5.009 HD1 :: 0.598 HD2 :: 0.686 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) P112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.83 C 0.16 C Shift Assignments>> C :: 177.876 CA :: 65.802 CB :: 31.017 CG :: 27.773 CD :: 50.498 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 :: 4.387 HB2 :: 2.449 HB3 :: 2.143 HG2 :: 2.292 HD2 :: 3.993 HD3 :: 3.788 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) Y113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.43 C 0.29 F 0.26 C Shift Assignments>> C :: 178.602 CA :: 61.169 CB :: 40.180 CD1 :: 133.557 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 :: 8.232 HA :: 3.845 HB2 :: 3.361 HB3 :: 2.456 HD1 :: 7.015 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 :: 114.898 Ave N Shift Values>> N :: 120.79(4.69) L114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.52 C 0.3 K 0.14 G 0.01 C Shift Assignments>> C :: 178.463 CA :: 56.739 CB :: 42.041 CD1 :: 24.001 CD2 :: 25.684 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 :: 7.130 HA :: 4.536 HB2 :: 2.337 HB3 :: 1.716 HG :: 1.341 HD1 :: 1.069 HD2 :: 0.992 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 :: 112.171 Ave N Shift Values>> N :: 121.98(4.07) H115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.38 H 0.34 C 0.27 C Shift Assignments>> C :: 176.281 CA :: 58.733 CB :: 28.934 CD2 :: 120.507 CE1 :: 136.906 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 :: 7.997 HA :: 4.433 HB2 :: 3.387 HD2 :: 7.433 HE1 :: 8.636 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 :: 119.336 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) E116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.32 Q 0.22 K 0.21 E 0.16 R 0.02 M 0.01 I 0.01 C Shift Assignments>> C :: 174.638 CA :: 54.346 CB :: 28.244 CG :: 34.996 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 :: 8.358 HA :: 4.261 HB2 :: 1.646 HB3 :: 2.139 HG2 :: 2.312 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 :: 115.266 Ave N Shift Values>> N :: 120.68(3.68) W117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.6 W 0.37 H 0.01 C Shift Assignments>> C :: 176.164 CA :: 58.611 CB :: 29.768 CD1 :: 126.520 CZ2 :: 116.448 CH2 :: 123.550 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 :: 6.768 HA :: 3.709 HB2 :: 2.978 HB3 :: 3.552 HD1 :: 6.728 HE1 :: 10.191 HZ2 :: 7.533 HZ3 :: 6.633 HH2 :: 7.063 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 :: 121.625 NE1 :: 130.988 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) K118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.44 C 0.43 R 0.07 M 0.03 C Shift Assignments>> C :: 174.415 CA :: 55.371 CB :: 34.480 CG :: 23.867 CD :: 28.998 CE :: 41.867 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 :: 8.107 HA :: 4.420 HB2 :: 1.568 HB3 :: 1.595 HG2 :: 1.258 HG3 :: 1.308 HD2 :: 1.583 HE2 :: 2.916 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 :: 128.751 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) H119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.43 W 0.33 C 0.23 C Shift Assignments>> CA :: 53.915 CB :: 28.320 CD2 :: 120.760 CE1 :: 137.789 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 :: 9.312 HA :: 4.379 HB2 :: 2.485 HB3 :: 2.702 HD2 :: 6.848 HE1 :: 8.691 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 :: 127.853 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) P120 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> C 0.9 P 0.04 A 0.03 G 0.01 C Shift Assignments>> C :: 174.674 CA :: 62.980 CB :: 33.681 CG :: 23.356 CD :: 49.457 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 :: 3.407 HB2 :: 0.717(S) HB3 :: 1.888 HG2 :: 1.367 HG3 :: 1.653 HD2 :: 3.156 HD3 :: 3.364 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) Q121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 Q 0.16 K 0.16 I 0.1 E 0.1 R 0.05 P 0.03 C Shift Assignments>> C :: 176.403 CA :: 60.026 CB :: 27.547 CG :: 34.314 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 :: 7.994 HA :: 3.750 HB2 :: 1.828 HB3 :: 1.986 HG2 :: 2.159 HG3 :: 2.363 HE21 :: 7.350 HE22 :: 6.630 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 :: 125.942 NE2 :: 111.220 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) S122 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> S 0.96 C 0.03 C Shift Assignments>> C :: 171.202 CA :: 56.549 CB :: 60.516 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.816 HA :: 4.273 HB2 :: 1.168(M) HB3 :: 1.884(S) HG :: 6.893 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 :: 116.130 Ave N Shift Values>> N :: 116.3(3.95) D123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.33 N 0.18 L 0.16 C 0.11 K 0.07 F 0.05 Y 0.04 R 0.02 C Shift Assignments>> C :: 174.791 CA :: 52.861 CB :: 41.069 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 :: 8.374 HA :: 4.532 HB2 :: 3.116 HB3 :: 2.815 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 :: 120.055 Ave N Shift Values>> N :: 120.73(4.2) L124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.57 C 0.33 R 0.06 G 0.02 C Shift Assignments>> C :: 178.563 CA :: 58.170 CB :: 42.486 CG :: 26.662 CD1 :: 24.190 CD2 :: 24.869 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 :: 8.075 HA :: 4.235 HB2 :: 1.451 HB3 :: 2.027 HG :: 2.160 HD1 :: 0.732 HD2 :: 0.760 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 :: 119.103 Ave N Shift Values>> N :: 121.98(4.07) L125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.55 C 0.37 R 0.05 HN Overlap>> E138 C Shift Assignments>> C :: 179.540 CA :: 58.242 CB :: 41.483 CG :: 27.079 CD1 :: 25.008 CD2 :: 25.269 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 :: 8.100 HA :: 3.949 HB2 :: 1.563 HB3 :: 1.640 HG :: 1.668 HD1 :: 0.956 HD2 :: 0.991 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 :: 118.654 Ave N Shift Values>> N :: 121.98(4.07) G126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.11 L 0.05 C Shift Assignments>> C :: 176.430 CA :: 46.311 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.664 HA2 :: 3.889 HA3 :: 3.607 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.717 Ave N Shift Values>> N :: 109.91(4.29) L127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.39 C 0.34 L 0.23 R 0.01 C Shift Assignments>> C :: 177.515 CA :: 56.936 CB :: 41.487 CD1 :: 27.722 CD2 :: 23.372 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 :: 7.851 HA :: 3.115 HB2 :: 2.435 HB3 :: 1.804 HG :: 1.394 HD1 :: 1.049 HD2 :: 0.874 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 :: 122.667 Ave N Shift Values>> N :: 121.98(4.07) I128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.86 C 0.13 C Shift Assignments>> C :: 177.327 CA :: 64.361 CB :: 36.616 CG1 :: 29.120 CG2 :: 16.979 CD1 :: 12.766 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 :: 8.091 HA :: 3.309 HB :: 1.609 HG2 :: 0.072 HG12 :: 0.924 HG13 :: 1.347 HD1 :: 0.417 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 :: 119.404 Ave N Shift Values>> N :: 121.6(4.72) Q129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 Q 0.19 K 0.18 E 0.11 I 0.07 R 0.06 P 0.02 C Shift Assignments>> C :: 179.070 CA :: 59.594 CB :: 27.741 CG :: 34.257 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 :: 7.788 HA :: 3.816 HB2 :: 2.002 HB3 :: 2.161 HG2 :: 2.344 HG3 :: 2.551 HE21 :: 7.234 HE22 :: 6.863 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 :: 116.788 NE2 :: 110.815 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) V130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.92 C 0.07 C Shift Assignments>> C :: 177.369 CA :: 65.865 CB :: 30.886 CG1 :: 21.709 CG2 :: 23.038 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 :: 7.401 HA :: 3.620 HB :: 1.854 HG1 :: 0.819 HG2 :: 0.818 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 :: 118.794 Ave N Shift Values>> N :: 121.02(4.96) M131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.61 M 0.35 I 0.02 HN Overlap>> L20 C Shift Assignments>> C :: 176.694 CA :: 60.180 CB :: 32.455 CG :: 33.513 CE :: 17.351 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 8.139 HA :: 2.909 HB2 :: 1.283 HB3 :: 1.928 HG2 :: 1.547 HG3 :: 2.248 HE :: 1.800 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 120.381 Ave N Shift Values>> N :: 120.1(3.88) I132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.94 C 0.05 C Shift Assignments>> C :: 178.608 CA :: 66.349 CB :: 38.439 CG1 :: 30.345 CG2 :: 17.308 CD1 :: 14.381 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 :: 7.992 HA :: 3.451 HB :: 1.813 HG2 :: 1.048 HG12 :: 0.942 HG13 :: 1.714 HD1 :: 0.854 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 :: 117.682 Ave N Shift Values>> N :: 121.6(4.72) V133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.95 C 0.04 C Shift Assignments>> C :: 179.350 CA :: 66.308 CB :: 31.727 CG1 :: 20.886 CG2 :: 22.411 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 :: 7.212 HA :: 3.663 HB :: 2.153 HG1 :: 0.890 HG2 :: 1.042 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 :: 120.068 Ave N Shift Values>> N :: 121.02(4.96) V134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.94 C 0.05 C Shift Assignments>> C :: 179.612 CA :: 66.165 CB :: 31.295 CG1 :: 22.407 CG2 :: 20.308 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 :: 8.581 HA :: 3.712 HB :: 1.600 HG1 :: 0.764 HG2 :: 0.580 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 :: 120.218 Ave N Shift Values>> N :: 121.02(4.96) F135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 Y 0.28 F 0.21 C Shift Assignments>> C :: 176.043 CA :: 54.807 CB :: 36.860 CD1 :: 130.029 CE1 :: 130.054 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 :: 8.964 HA :: 4.881 HB2 :: 3.331 HB3 :: 2.923 HD1 :: 6.965 HE1 :: 7.030 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 :: 119.008 Ave N Shift Values>> N :: 120.69(4.18) G136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 C 0.11 L 0.05 C Shift Assignments>> C :: 174.527 CA :: 46.262 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.645 HA2 :: 3.933 HA3 :: 4.218 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 105.141 Ave N Shift Values>> N :: 109.91(4.29) D137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.23 L 0.19 K 0.14 C 0.11 F 0.1 Y 0.09 N 0.06 R 0.03 C Shift Assignments>> C :: 176.572 CA :: 55.032 CB :: 41.109 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 :: 7.362 HA :: 4.977 HB2 :: 2.952 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 :: 118.171 Ave N Shift Values>> N :: 120.73(4.2) E138 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 M 0.26 E 0.21 Q 0.07 K 0.04 HN Overlap>> L125 C Shift Assignments>> CA :: 53.038 CB :: 31.018 CG :: 35.647 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 :: 8.131 HA :: 4.659 HB2 :: 2.022 HB3 :: 2.121 HG2 :: 2.272 HG3 :: 2.347 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 :: 118.698 Ave N Shift Values>> N :: 120.68(3.68) P139 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> C 0.53 P 0.46 C Shift Assignments>> CA :: 60.997 CB :: 29.859 CG :: 26.639 CD :: 49.831 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 :: 4.546 HB2 :: 0.930 HB3 :: 1.263 HG2 :: 0.588(S) HG3 :: 1.027 HD2 :: 3.225 HD3 :: 3.324 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) P140 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> P 0.71 C 0.28 C Shift Assignments>> C :: 174.831 CA :: 62.687 CB :: 32.364 CG :: 25.815 CD :: 49.539 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 :: 4.619 HB2 :: 1.649 HG2 :: 0.027(S) HG3 :: 1.127 HD2 :: 2.995 HD3 :: 3.186 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) V141 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.75 A 0.16 I 0.05 V 0.02 C Shift Assignments>> C :: 172.403 CA :: 56.774 CB :: 36.251 CG1 :: 19.467 CG2 :: 23.728 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 :: 6.330 HA :: 5.048 HB :: 1.627 HG1 :: 0.595 HG2 :: 0.617 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 :: 109.809 Ave N Shift Values>> N :: 121.02(4.96) F142 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.29 C 0.28 Y 0.21 G 0.2 C Shift Assignments>> C :: 175.738 CA :: 55.686 CB :: 43.626 CD1 :: 132.259 CE1 :: 130.799 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 :: 7.968 HA :: 4.858 HB2 :: 2.478 HB3 :: 2.880 HD1 :: 6.913 HE1 :: 7.037 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 :: 113.915 Ave N Shift Values>> N :: 120.69(4.18) S143 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.292 CA :: 58.063 CB :: 64.699 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.949 HA :: 4.655 HB2 :: 3.679 HB3 :: 3.743 HG :: 4.361 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 :: 116.657 Ave N Shift Values>> N :: 116.3(3.95) R144 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.48 C 0.31 G 0.09 K 0.06 L 0.03 HN Overlap>> I97 C Shift Assignments>> CA :: 54.221 CB :: 29.828 CG :: 27.295 CD :: 43.361 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 :: 8.420 HA :: 4.556 HB2 :: 1.602 HB3 :: 1.804 HG2 :: 1.497 HG3 :: 1.595 HD2 :: 3.120 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 :: 125.366 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) P145 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.88 C 0.11 C Shift Assignments>> CA :: 64.322 CB :: 31.809 CG :: 27.177 CD :: 50.221 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 :: 4.266 HB2 :: 1.879 HB3 :: 2.222 HG2 :: 1.960 HD2 :: 3.614 HD3 :: 3.769 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) P1 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.58 C 0.4 C Shift Assignments>> C :: 156.212(M) CA :: 61.910 CB :: 32.527 CG :: 26.093 CD :: 49.220 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 :: 4.297 HB2 :: 1.808 HB3 :: 2.259 HG2 :: 1.658 HG3 :: 1.852 HD2 :: 3.158 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) E2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.25 K 0.16 Q 0.14 M 0.07 I 0.01 C Shift Assignments>> CA :: 54.173 CB :: 29.436 CG :: 35.480 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 :: 8.598 HA :: 4.569 HB2 :: 1.812 HB3 :: 1.961 HG2 :: 2.262 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 :: 121.096 Ave N Shift Values>> N :: 120.68(3.68) P3 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.82 C 0.09 R 0.03 K 0.02 C Shift Assignments>> C :: 150.585(M) CB :: 32.008 CG :: 27.621 CD :: 50.420 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 :: 4.336 HB2 :: 1.789 HB3 :: 1.900 HG2 :: 1.733 HG3 :: 2.030 HD2 :: 3.574 HD3 :: 3.852 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) T4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.9 T 0.09 C Shift Assignments>> C :: 178.588 CA :: 59.275 CB :: 73.891 CG2 :: 23.345 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 :: 7.952 HA :: 4.547 HB :: 4.442 HG1 :: 6.124 HG2 :: 1.226 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 :: 117.195 Ave N Shift Values>> N :: 115.7(5.05) A5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.83 G 0.06 M 0.05 C 0.04 C Shift Assignments>> CA :: 49.036 CB :: 20.016 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.994 HA :: 4.254 HB :: 0.943 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 115.284 Ave N Shift Values>> N :: 123.23(3.7) P6 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> C 0.84 P 0.11 G 0.03 C Shift Assignments>> CA :: 60.268 CB :: 29.905 CG :: 26.200 CD :: 48.571 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 :: 4.054 HB2 :: 1.729 HB3 :: 1.939 HG2 :: 0.648(S) HG3 :: 1.090 HD2 :: 2.095(S) HD3 :: 3.243 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) P7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.75 C 0.24 C Shift Assignments>> C :: 181.355 CA :: 62.439 CB :: 31.821 CG :: 27.235 CD :: 50.159 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 :: 4.703 HB2 :: 1.971 HB3 :: 2.267 HG2 :: 2.132 HD2 :: 3.705 HD3 :: 3.869 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) E8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.34 C 0.33 M 0.09 K 0.09 Q 0.06 I 0.06 C Shift Assignments>> C :: 173.168 CA :: 57.487 CB :: 30.202 CG :: 35.961 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 :: 8.313 HA :: 3.648 HB2 :: 1.713 HB3 :: 1.820 HG2 :: 1.991 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 :: 120.877 Ave N Shift Values>> N :: 120.68(3.68) E9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 E 0.36 M 0.15 I 0.04 K 0.02 Q 0.02 C Shift Assignments>> CA :: 57.293 CB :: 31.310 CG :: 36.410 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 :: 7.628 HA :: 4.083 HB2 :: 1.707 HB3 :: 1.986 HG2 :: 2.225 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 :: 128.572 Ave N Shift Values>> N :: 120.68(3.68) ########################################################################### Overall Results: #Consistent: 137 #Clerical: 0 #Suspicious: 12 #Anomalous: 5 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 152 #Suspicious: 1 #Mistyped: 0 #Indeterminable: 1 Shift Relative Order (SRO) Results: #Consistent: 153 #Suspicious: 1 C Shift Results: #Consistent: 641 #Duplicate: 0 #Unknown: 0 #Suspicious: 2 #Anomalous: 3 H Shift Results: #Consistent: 853 #Duplicate: 0 #Unknown: 0 #Suspicious: 16 #Anomalous: 2 N Shift Results: #Consistent: 147 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: Y42 HB3 = 1.548(S), Expected = 2.91, Std = 0.3700, ChiSquare = 2.3225e-04 N54 HB2 = 1.267(S), Expected = 2.80, Std = 0.3400, ChiSquare = 6.5188e-06 N54 HB3 = 1.538(S), Expected = 2.78, Std = 0.3400, ChiSquare = 2.5925e-04 N54 HD21 = 3.741(S), Expected = 7.27, Std = 0.5200, ChiSquare = 1.1486e-11 N54 SRO Rule Break>> HD21 > HA : 0.996566944580677 G57 HA2 = 5.473(S), Expected = 3.95, Std = 0.4000, ChiSquare = 1.4038e-04 R64 HG3 = 0.438(S), Expected = 1.58, Std = 0.2700, ChiSquare = 2.3408e-05 I72 CB = 44.847(M), Expected = 38.58, Std = 2.0900, ChiSquare = 2.7125e-03 C73 HG = 1.210(M), Expected = 1.66, Std = 0.4800, ChiSquare = 3.4850e-01 D78 HA = 2.959(S), Expected = 4.61, Std = 0.3100, ChiSquare = 1.0051e-07 Y80 Typing: Suspicious Y80 CE1 = 133.197(S), Expected = 117.81, Std = 2.0900, ChiSquare = 1.8090e-13 P81 CG = 22.879(S), Expected = 27.14, Std = 1.1800, ChiSquare = 3.0500e-04 P81 HA = 2.526(S), Expected = 4.41, Std = 0.3600, ChiSquare = 1.6648e-07 P81 HG2 = -0.389(S), Expected = 1.93, Std = 0.3600, ChiSquare = 1.1817e-10 P85 HD2 = 2.329(S), Expected = 3.64, Std = 0.3600, ChiSquare = 2.7088e-04 P120 HB2 = 0.717(S), Expected = 2.05, Std = 0.3900, ChiSquare = 6.3095e-04 S122 HB2 = 1.168(M), Expected = 3.88, Std = 0.2900, ChiSquare = 8.6230e-21 S122 HB3 = 1.884(S), Expected = 3.87, Std = 0.3100, ChiSquare = 1.4895e-10 P139 HG2 = 0.588(S), Expected = 1.93, Std = 0.3600, ChiSquare = 1.9318e-04 P140 HG2 = 0.027(S), Expected = 1.93, Std = 0.3600, ChiSquare = 1.2494e-07 P1 C = 156.212(M), Expected = 176.70, Std = 1.6900, ChiSquare = 7.9709e-34 P3 C = 150.585(M), Expected = 176.70, Std = 1.6900, ChiSquare = 7.2390e-54 P6 HG2 = 0.648(S), Expected = 1.93, Std = 0.3600, ChiSquare = 3.6929e-04 P6 HD2 = 2.095(S), Expected = 3.64, Std = 0.3600, ChiSquare = 1.7734e-05