Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.E2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> HA :: 4.426 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) 1.P3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.83 C 0.15 C Shift Assignments>> CA :: 63.495 CB :: 31.215 CG :: 27.134 CD :: 49.767 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 :: 4.227 HB2 :: 2.020 HB3 :: 1.746 HG2 :: 1.896 HG3 :: 1.851 HD2 :: 3.585 HD3 :: 3.585 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.K4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 K 0.24 A 0.1 M 0.08 R 0.05 C Shift Assignments>> CA :: 54.400 CB :: 34.555 CG :: 22.411 CD :: 29.200 CE :: 41.800 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 :: 7.290 HA :: 4.370 HB2 :: 1.602 HB3 :: 1.582 HG2 :: 1.190 HG3 :: 0.890 HD2 :: 1.338 HD3 :: 1.252 HE2 :: 2.720 HE3 :: 2.720 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 :: 113.274 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.W5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.15 E 0.14 R 0.13 H 0.12 C 0.12 Q 0.11 K 0.08 M 0.05 I 0.03 V 0.01 C Shift Assignments>> CA :: 57.700 CB :: 30.202 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 8.260 HA :: 4.470 HB2 :: 3.332 HB3 :: 3.162 HD1 :: 7.343 HE1 :: 10.408 HE3 :: 7.807 HZ2 :: 7.345 HZ3 :: 6.760 HH2 :: 7.030 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 :: 122.522 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.K6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 R 0.44 M 0.03 G 0.01 C Shift Assignments>> CA :: 55.603 CB :: 31.183 CG :: 28.618 CD :: 24.808 CE :: 41.900 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 9.323 HA :: 4.466 HB2 :: 2.070 HB3 :: 1.741 HG2 :: 1.642 HG3 :: 1.642 HD2 :: 1.480 HD3 :: 1.350 HE2 :: 2.960 HE3 :: 2.960 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 :: 123.231 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.K7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 K 0.31 M 0.12 A 0.04 R 0.04 G 0.01 C Shift Assignments>> CA :: 54.319 CB :: 34.400 CG :: 23.053 CD :: 29.902 CE :: 41.975 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 :: 7.293 HA :: 4.608 HB2 :: 1.853 HB3 :: 1.853 HG2 :: 1.341 HG3 :: 1.190 HD2 :: 1.707 HD3 :: 1.642 HE2 :: 2.991 HE3 :: 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 :: 116.523 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.N8 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 E 0.01 HN Overlap>> 1.S20 1.S20 C Shift Assignments>> CA :: 53.006 CB :: 38.836 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 :: 8.177 HA :: 4.671 HB2 :: 2.875 HB3 :: 2.767 HD21 :: 8.417 HD22 :: 6.919 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 :: 114.188 ND2 :: 110.529 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.T9 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>> CA :: 61.269 CB :: 69.803 CG2 :: 21.197 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 :: 7.080 HA :: 4.629 HB :: 3.739 HG21 :: 0.810 HG22 :: 0.810 HG23 :: 0.810 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 :: 116.218 Ave N Shift Values>> N :: 115.7(5.05) 1.L10 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.44 G 0.35 C 0.12 A 0.05 C Shift Assignments>> C :: 176.000 CA :: 51.993 CB :: 44.201 CG :: 26.752 CD1 :: 24.537 CD2 :: 23.053 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 :: 8.494 HA :: 4.618 HB2 :: 1.272 HB3 :: 0.798 HG :: 0.653 HD11 :: -0.176(S) HD12 :: -0.176(S) HD13 :: -0.176(S) HD21 :: -0.391(S) HD22 :: -0.391(S) HD23 :: -0.391(S) 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 :: 128.215 Ave N Shift Values>> N :: 121.98(4.07) 1.T11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.55 C 0.4 A 0.04 C Shift Assignments>> C :: 174.500 CA :: 58.100 CB :: 72.029 CG2 :: 21.569 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 9.396 HA :: 5.644 HB :: 4.107 HG1 :: 5.409 HG21 :: 1.080 HG22 :: 1.080 HG23 :: 1.080 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 :: 112.969 Ave N Shift Values>> N :: 115.7(5.05) 1.Y12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.23 K 0.19 D 0.16 R 0.11 C 0.1 F 0.08 Y 0.06 N 0.02 C Shift Assignments>> C :: 171.700 CA :: 55.331 CB :: 41.975 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 :: 8.634 HA :: 5.492 HB2 :: 2.828 HB3 :: 2.383 HD1 :: 6.490 HD2 :: 6.490 HE1 :: 6.820 HE2 :: 6.820 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 :: 117.848 Ave N Shift Values>> N :: 120.79(4.69) 1.R13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.44 C 0.42 R 0.11 G 0.01 HN Overlap>> 1.L34 1.L34 C Shift Assignments>> C :: 173.300 CA :: 55.332 CB :: 34.217 CG :: 28.247 CD :: 42.138 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 :: 7.919 HA :: 4.410 HB2 :: 1.763 HB3 :: 1.627 HG2 :: 1.623 HG3 :: 1.623 HD2 :: 2.755 HD3 :: 2.755 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 117.703 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.I14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.56 C 0.43 C Shift Assignments>> C :: 175.600 CA :: 59.985 CB :: 37.070 CG1 :: 27.783 CG2 :: 16.303 CD1 :: 14.519 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 :: 8.477 HA :: 4.948 HB :: 1.665 HG12 :: 0.785 HG13 :: 1.644 HG21 :: -0.062 HG22 :: -0.062 HG23 :: -0.062 HD11 :: 1.016 HD12 :: 1.016 HD13 :: 1.016 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 :: 125.776 Ave N Shift Values>> N :: 121.6(4.72) 1.S15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.500 CA :: 58.702 CB :: 63.866 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.122 HA :: 4.341 HB2 :: 3.854 HB3 :: 3.854 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 :: 122.204 Ave N Shift Values>> N :: 116.3(3.95) 1.K16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 K 0.33 R 0.17 M 0.01 HN Overlap>> 1.H118 1.H118 C Shift Assignments>> C :: 175.000 CA :: 56.605 CB :: 36.039 CG :: 24.537 CD :: 29.360 CE :: 41.993 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 :: 6.910 HA :: 4.641 HB2 :: 1.903 HB3 :: 1.806 HG2 :: 1.536 HG3 :: 1.444 HD2 :: 1.779 HD3 :: 1.779 HE2 :: 2.997 HE3 :: 2.997 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 120.287 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.Y17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.25 I 0.25 F 0.24 C 0.19 E 0.02 L 0.01 C Shift Assignments>> C :: 174.300 CA :: 59.785 CB :: 39.007 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 :: 8.877 HA :: 4.044 HB2 :: 3.042 HB3 :: 2.619 HD1 :: 6.970 HD2 :: 6.970 HE1 :: 6.880 HE2 :: 6.880 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 :: 122.727 Ave N Shift Values>> N :: 120.79(4.69) 1.T18 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> A 0.92 C 0.06 C Shift Assignments>> CA :: 54.961 CB :: 69.061 CG2 :: 17.858 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 :: 5.492(A) HA :: 5.252 HB :: 3.298 HG1 :: 6.762 HG21 :: 0.209(S) HG22 :: 0.209(S) HG23 :: 0.209(S) 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 :: 112.359 Ave N Shift Values>> N :: 115.7(5.05) 1.P19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.8 C 0.19 C Shift Assignments>> CA :: 63.124 CB :: 31.586 CG :: 26.392 CD :: 50.880 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 :: 4.595 HB2 :: 2.207 HB3 :: 1.996 HG2 :: 1.989 HG3 :: 1.919 HD2 :: 4.088 HD3 :: 3.725 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.S20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.N8 1.N8 C Shift Assignments>> C :: 172.800 CA :: 60.156 CB :: 64.237 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.237 HA :: 4.128 HB2 :: 4.066 HB3 :: 4.013 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 :: 114.188 Ave N Shift Values>> N :: 116.3(3.95) 1.M21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 A 0.42 M 0.1 I 0.02 C Shift Assignments>> C :: 174.300 CA :: 54.119 CB :: 38.405 CG :: 31.586 CE :: 17.116 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 :: 7.091 HA :: 4.604 HB2 :: 2.123 HB3 :: 1.419 HG2 :: 2.372 HG3 :: 2.217 HE1 :: 1.775 HE2 :: 1.775 HE3 :: 1.775 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 :: 117.803 Ave N Shift Values>> N :: 120.1(3.88) 1.S22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.E115 1.E115 C Shift Assignments>> C :: 176.100 CA :: 57.609 CB :: 63.806 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.745 HA :: 4.401 HB2 :: 3.864 HB3 :: 4.165 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 117.003 Ave N Shift Values>> N :: 116.3(3.95) 1.S23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 61.100 CB :: 61.408 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.070 HA :: 3.860 HB2 :: 3.157 HB3 :: 3.157 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 :: 122.317 Ave N Shift Values>> N :: 116.3(3.95) 1.V24 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 :: 178.600 CA :: 65.100 CB :: 31.506 CG1 :: 21.197 CG2 :: 21.026 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 :: 7.361 HA :: 3.887 HB :: 1.950 HG11 :: 0.961 HG12 :: 0.961 HG13 :: 0.961 HG21 :: 0.926 HG22 :: 0.926 HG23 :: 0.926 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 :: 119.067 Ave N Shift Values>> N :: 121.02(4.96) 1.E25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 E 0.32 I 0.25 M 0.02 K 0.02 C Shift Assignments>> C :: 178.300 CA :: 59.043 CB :: 30.102 CG :: 37.523 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 :: 7.298 HA :: 4.045 HB2 :: 2.169 HB3 :: 2.082 HG2 :: 2.325 HG3 :: 2.137 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 :: 120.902 Ave N Shift Values>> N :: 120.68(3.68) 1.V26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.93 C 0.06 C Shift Assignments>> C :: 177.200 CA :: 66.704 CB :: 31.004 CG1 :: 23.424 CG2 :: 21.535 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 :: 7.913 HA :: 3.380 HB :: 2.408 HG11 :: 0.898 HG12 :: 0.898 HG13 :: 0.898 HG21 :: 0.928 HG22 :: 0.928 HG23 :: 0.928 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 :: 120.702 Ave N Shift Values>> N :: 121.02(4.96) 1.D27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.25 Y 0.25 C 0.18 I 0.07 D 0.07 L 0.06 K 0.02 N 0.02 E 0.01 C Shift Assignments>> C :: 179.000 CA :: 57.559 CB :: 39.749 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 :: 8.681 HA :: 4.208 HB2 :: 2.878 HB3 :: 2.561 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 :: 118.762 Ave N Shift Values>> N :: 120.73(4.2) 1.K28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.39 C 0.36 R 0.22 M 0.02 C Shift Assignments>> C :: 177.700 CA :: 58.672 CB :: 31.957 CG :: 24.537 CD :: 28.618 CE :: 41.804 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 :: 7.825 HA :: 4.152 HB2 :: 1.946 HB3 :: 1.946 HG2 :: 1.537 HG3 :: 1.490 HD2 :: 1.734 HD3 :: 1.624 HE2 :: 2.928 HE3 :: 2.928 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 120.287 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.A29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.6 A 0.26 I 0.05 C 0.04 V 0.01 C Shift Assignments>> C :: 179.600 CA :: 55.903 CB :: 18.600 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.532 HA :: 4.093 HB1 :: 1.449 HB2 :: 1.449 HB3 :: 1.449 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.422 Ave N Shift Values>> N :: 123.23(3.7) 1.V30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.96 C 0.03 C Shift Assignments>> C :: 176.600 CA :: 67.105 CB :: 31.284 CG1 :: 22.682 CG2 :: 21.569 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 :: 8.280 HA :: 3.505 HB :: 2.242 HG11 :: 0.996 HG12 :: 0.996 HG13 :: 0.996 HG21 :: 0.736 HG22 :: 0.736 HG23 :: 0.736 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 :: 115.408 Ave N Shift Values>> N :: 121.02(4.96) 1.E31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.3 I 0.26 K 0.05 M 0.02 Q 0.01 C Shift Assignments>> C :: 179.200 CA :: 60.156 CB :: 29.631 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 :: 8.170 HA :: 3.704 HB2 :: 2.227 HB3 :: 2.166 HG2 :: 2.331 HG3 :: 2.162 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 119.677 Ave N Shift Values>> N :: 120.68(3.68) 1.M32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 M 0.44 I 0.02 C Shift Assignments>> C :: 178.900 CA :: 59.414 CB :: 33.555 CG :: 31.940 CE :: 16.203 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 :: 8.659 HA :: 4.061 HB2 :: 2.232 HB3 :: 1.971 HG2 :: 2.926 HG3 :: 2.837 HE1 :: 1.628 HE2 :: 1.628 HE3 :: 1.628 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 :: 117.238 Ave N Shift Values>> N :: 120.1(3.88) 1.A33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.56 A 0.34 I 0.04 C 0.03 C Shift Assignments>> C :: 178.100 CA :: 55.332 CB :: 18.229 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.370 HA :: 3.933 HB1 :: 1.379 HB2 :: 1.379 HB3 :: 1.379 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.100 Ave N Shift Values>> N :: 123.23(3.7) 1.L34 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.84 A 0.12 L 0.03 HN Overlap>> 1.R13 1.R13 C Shift Assignments>> C :: 179.500 CA :: 57.559 CB :: 40.120 CG :: 24.900 CD1 :: 24.166 CD2 :: 18.971 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.975 HA :: 3.693 HB2 :: 1.264 HB3 :: 0.411 HG :: 0.747 HD11 :: -0.900(S) HD12 :: -0.900(S) HD13 :: -0.900(S) HD21 :: -1.308(S) HD22 :: -1.308(S) HD23 :: -1.308(S) 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 :: 117.703 Ave N Shift Values>> N :: 121.98(4.07) 1.Q35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 Q 0.25 K 0.22 R 0.09 E 0.09 I 0.02 M 0.01 C Shift Assignments>> C :: 178.400 CA :: 57.559 CB :: 27.505 CG :: 34.003 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.191 HA :: 4.210 HB2 :: 2.215 HB3 :: 2.091 HG2 :: 2.546 HG3 :: 2.457 HE21 :: 6.809 HE22 :: 7.513 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 :: 118.152 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.A36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.66 A 0.26 I 0.04 C 0.02 HN Overlap>> 1.A40 1.A40 C Shift Assignments>> C :: 179.400 CA :: 54.961 CB :: 16.745 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.588 HA :: 4.095 HB1 :: 1.213 HB2 :: 1.213 HB3 :: 1.213 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.507 Ave N Shift Values>> N :: 123.23(3.7) 1.W37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.16 C 0.14 E 0.13 R 0.1 I 0.1 H 0.09 Q 0.08 K 0.08 V 0.03 M 0.02 HN Overlap>> 1.D66 1.D66 C Shift Assignments>> C :: 178.700 CA :: 59.414 CB :: 29.731 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 :: 6.884 HA :: 4.602 HB2 :: 3.090 HB3 :: 3.090 HD1 :: 7.283 HE1 :: 10.587 HZ2 :: 7.210 HZ3 :: 7.396 HH2 :: 6.881 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 :: 116.628 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.S38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.200 CA :: 60.898 CB :: 63.124 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.638 HA :: 4.361 HB2 :: 4.047 HB3 :: 4.306 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 :: 123.900 Ave N Shift Values>> N :: 116.3(3.95) 1.S39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.500 CA :: 60.898 CB :: 63.495 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.866 HA :: 4.233 HB2 :: 4.051 HB3 :: 3.964 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 :: 112.969 Ave N Shift Values>> N :: 116.3(3.95) 1.A40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.46 A 0.16 M 0.14 C 0.13 K 0.06 HN Overlap>> 1.A36 1.A36 C Shift Assignments>> C :: 177.300 CA :: 52.905 CB :: 22.682 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.643 HA :: 4.655 HB1 :: 1.616 HB2 :: 1.616 HB3 :: 1.616 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.507 Ave N Shift Values>> N :: 123.23(3.7) 1.V41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.77 I 0.13 A 0.08 C Shift Assignments>> C :: 174.300 CA :: 57.188 CB :: 34.926 CG1 :: 25.650 CG2 :: 17.487 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 :: 7.423 HA :: 5.249 HB :: 2.081 HG11 :: 1.294 HG12 :: 1.294 HG13 :: 1.294 HG21 :: 0.811 HG22 :: 0.811 HG23 :: 0.811 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 :: 109.004 Ave N Shift Values>> N :: 121.02(4.96) 1.P42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.7 P 0.29 C Shift Assignments>> CA :: 62.011 CB :: 27.876 CG :: 27.466 CD :: 50.884 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 :: 4.577 HB2 :: 2.313 HB3 :: 2.313 HG2 :: 1.932 HG3 :: 1.793 HD2 :: 3.350 HD3 :: 3.245 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.L43 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.51 L 0.24 C 0.15 A 0.07 C Shift Assignments>> C :: 175.700 CA :: 53.106 CB :: 45.606 CG :: 26.763 CD1 :: 25.279 CD2 :: 22.682 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 :: 7.895 HA :: 4.746 HB2 :: 0.393(S) HB3 :: 0.872 HG :: 0.800 HD11 :: -0.012 HD12 :: -0.012 HD13 :: -0.012 HD21 :: 0.392 HD22 :: 0.392 HD23 :: 0.392 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 :: 122.422 Ave N Shift Values>> N :: 121.98(4.07) 1.S44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 171.000 CA :: 56.074 CB :: 64.979 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.876 HA :: 4.492 HB2 :: 3.620 HB3 :: 3.548 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 :: 115.713 Ave N Shift Values>> N :: 116.3(3.95) 1.F45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.2 L 0.2 D 0.14 F 0.11 C 0.11 Y 0.09 R 0.08 N 0.02 I 0.01 HN Overlap>> 1.L122 1.L122 C Shift Assignments>> C :: 175.900 CA :: 56.074 CB :: 41.604 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 :: 8.475 HA :: 5.612 HB2 :: 2.762 HB3 :: 2.666 HD1 :: 6.805 HD2 :: 6.805 HE1 :: 6.758 HE2 :: 6.758 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 :: 120.592 Ave N Shift Values>> N :: 120.69(4.18) 1.V46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.5 C 0.49 C Shift Assignments>> C :: 173.100 CA :: 60.898 CB :: 35.297 CG1 :: 20.454 CG2 :: 20.455 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 :: 8.966 HA :: 4.150 HB :: 1.579 HG11 :: 0.685 HG12 :: 0.685 HG13 :: 0.685 HG21 :: 0.677 HG22 :: 0.677 HG23 :: 0.677 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 :: 125.471 Ave N Shift Values>> N :: 121.02(4.96) 1.R47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.47 C 0.34 G 0.09 K 0.06 L 0.02 C Shift Assignments>> C :: 176.400 CA :: 55.332 CB :: 30.102 CG :: 27.134 CD :: 43.486 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 :: 8.443 HA :: 3.299 HB2 :: 1.413 HB3 :: 1.251 HG2 :: 1.032 HG3 :: 0.940 HD2 :: 3.007 HD3 :: 2.911 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 :: 129.740 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.I48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.57 C 0.41 C Shift Assignments>> C :: 175.300 CA :: 59.179 CB :: 40.491 CG1 :: 25.650 CG2 :: 16.745 CD1 :: 13.033 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 :: 8.313 HA :: 4.679 HB :: 1.984 HG12 :: 1.018 HG13 :: 0.802 HG21 :: 0.758 HG22 :: 0.758 HG23 :: 0.758 HD11 :: 0.621 HD12 :: 0.621 HD13 :: 0.621 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 :: 120.920 Ave N Shift Values>> N :: 121.6(4.72) 1.N49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 N 0.29 C 0.12 L 0.1 F 0.06 Y 0.06 K 0.02 C Shift Assignments>> CA :: 53.106 CB :: 40.120 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 :: 8.647 HA :: 4.803 HB2 :: 2.824 HB3 :: 2.606 HD21 :: 6.790 HD22 :: 7.491 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>> ND2 :: 112.700 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.S50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.500 CA :: 57.017 CB :: 64.608 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.465 HA :: 4.263 HB2 :: 3.687 HB3 :: 3.687 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 :: 112.054 Ave N Shift Values>> N :: 116.3(3.95) 1.G51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.32 L 0.24 R 0.23 C 0.1 F 0.02 D 0.02 Y 0.01 K 0.01 C Shift Assignments>> C :: 172.600 CA :: 44.201 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.439 HA2 :: 3.688 HA3 :: 4.007 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.090 Ave N Shift Values>> N :: 109.91(4.29) 1.E52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.31 E 0.3 K 0.16 Q 0.12 M 0.05 I 0.02 C Shift Assignments>> C :: 175.300 CA :: 55.703 CB :: 29.233 CG :: 35.668 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 :: 8.291 HA :: 4.337 HB2 :: 1.834 HB3 :: 1.792 HG2 :: 2.121 HG3 :: 2.121 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 119.900 Ave N Shift Values>> N :: 120.68(3.68) 1.A53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.77 C 0.08 M 0.06 L 0.03 G 0.03 C Shift Assignments>> C :: 175.900 CA :: 49.396 CB :: 21.100 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.946 HA :: 4.372 HB1 :: 0.922 HB2 :: 0.922 HB3 :: 0.922 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 131.875 Ave N Shift Values>> N :: 123.23(3.7) 1.D54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.23 Y 0.17 K 0.17 C 0.15 L 0.09 I 0.07 R 0.05 D 0.03 C Shift Assignments>> C :: 176.900 CA :: 58.672 CB :: 41.233 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 :: 8.347 HA :: 4.329 HB2 :: 2.755 HB3 :: 2.260 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 :: 121.202 Ave N Shift Values>> N :: 120.73(4.2) 1.I55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 I 0.49 C Shift Assignments>> C :: 174.300 CA :: 60.527 CB :: 38.265 CG1 :: 26.092 CG2 :: 14.419 CD1 :: 12.864 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 :: 8.765 HA :: 4.093 HB :: 1.769 HG12 :: 1.273 HG13 :: 1.143 HG21 :: 0.852 HG22 :: 0.852 HG23 :: 0.852 HD11 :: 0.476 HD12 :: 0.476 HD13 :: 0.476 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 :: 123.946 Ave N Shift Values>> N :: 121.6(4.72) 1.M56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.39 A 0.31 C 0.29 C Shift Assignments>> C :: 176.600 CA :: 52.735 CB :: 30.473 CG :: 31.586 CE :: 16.374 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 :: 7.191 HA :: 5.154 HB2 :: 2.055 HB3 :: 1.955 HG2 :: 2.776 HG3 :: 2.634 HE1 :: 2.116 HE2 :: 2.116 HE3 :: 2.116 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 :: 125.166 Ave N Shift Values>> N :: 120.1(3.88) 1.I57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.59 I 0.38 C Shift Assignments>> C :: 174.300 CA :: 59.785 CB :: 40.120 CG1 :: 28.514 CG2 :: 18.600 CD1 :: 17.116 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 9.052 HA :: 5.210 HB :: 1.793 HG12 :: 1.815 HG13 :: 0.962 HG21 :: 0.818 HG22 :: 0.818 HG23 :: 0.818 HD11 :: 0.872 HD12 :: 0.872 HD13 :: 0.872 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 :: 125.941 Ave N Shift Values>> N :: 121.6(4.72) 1.S58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.G143 1.G143 C Shift Assignments>> C :: 172.200 CA :: 56.445 CB :: 64.237 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.613 HA :: 5.010 HB2 :: 3.976 HB3 :: 3.583 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 :: 115.713 Ave N Shift Values>> N :: 116.3(3.95) 1.F59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.22 Y 0.22 F 0.17 N 0.11 D 0.1 E 0.05 I 0.04 L 0.03 M 0.01 C Shift Assignments>> C :: 175.300 CA :: 56.074 CB :: 38.636 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 :: 7.108 HA :: 5.121 HB2 :: 2.557 HB3 :: 2.557 HD1 :: 6.835 HD2 :: 6.835 HE1 :: 7.059 HE2 :: 7.059 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 121.812 Ave N Shift Values>> N :: 120.69(4.18) 1.E60 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> M 0.5 C 0.35 Q 0.09 K 0.02 E 0.01 C Shift Assignments>> C :: 174.600 CA :: 53.106 CB :: 32.301 CG :: 32.812 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.881 HA :: 4.805 HB2 :: 1.436 HB3 :: 0.636(S) HG2 :: 1.642 HG3 :: 1.157(S) Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 119.982 Ave N Shift Values>> N :: 120.68(3.68) 1.N61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.33 L 0.18 N 0.15 C 0.12 K 0.07 F 0.04 R 0.03 Y 0.03 C Shift Assignments>> C :: 175.500 CA :: 51.993 CB :: 41.604 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 :: 9.457 HA :: 5.218 HB2 :: 2.697 HB3 :: 2.591 HD21 :: 7.760 HD22 :: 7.081 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 :: 120.287 ND2 :: 114.500 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.G62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.77 C 0.15 L 0.04 C Shift Assignments>> C :: 175.700 CA :: 46.799 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.151 HA2 :: 3.823 HA3 :: 3.736 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.699 Ave N Shift Values>> N :: 109.91(4.29) 1.D63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.26 N 0.19 C 0.14 F 0.12 Y 0.11 L 0.11 K 0.02 I 0.01 C Shift Assignments>> C :: 174.900 CA :: 54.590 CB :: 39.920 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 :: 9.246 HA :: 4.454 HB2 :: 3.062 HB3 :: 2.552 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 :: 130.960 Ave N Shift Values>> N :: 120.73(4.2) 1.H64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.16 R 0.15 Q 0.13 H 0.12 C 0.12 K 0.12 W 0.07 E 0.05 M 0.01 C Shift Assignments>> C :: 174.900 CA :: 54.219 CB :: 27.876 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 :: 8.934 HA :: 5.085 HB2 :: 3.426 HB3 :: 2.715 HD1 :: 11.940 HD2 :: 6.285 HE1 :: 7.229 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 123.031 ND1 :: 172.500 NE2 :: 206.500 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.G65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 C 0.1 L 0.06 C Shift Assignments>> C :: 173.900 CA :: 46.057 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.805 HA2 :: 3.628 HA3 :: 4.113 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.785 Ave N Shift Values>> N :: 109.91(4.29) 1.D66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.34 N 0.27 C 0.12 L 0.12 F 0.04 K 0.03 Y 0.03 HN Overlap>> 1.W37 1.W37 C Shift Assignments>> C :: 176.100 CA :: 51.612 CB :: 40.825 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 :: 6.937 HA :: 4.786 HB2 :: 3.297 HB3 :: 2.711 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 :: 116.628 Ave N Shift Values>> N :: 120.73(4.2) 1.S67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 171.900 CA :: 59.043 CB :: 62.382 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.007 HA :: 3.946 HB2 :: 3.460 HB3 :: 3.253 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 111.139 Ave N Shift Values>> N :: 116.3(3.95) 1.Y68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.34 C 0.2 D 0.13 Y 0.12 F 0.09 E 0.04 L 0.02 M 0.01 I 0.01 C Shift Assignments>> C :: 179.500 CA :: 54.219 CB :: 38.303 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 7.419 HA :: 4.634 HB2 :: 2.318 HB3 :: 1.694 HD1 :: 6.523 HD2 :: 6.523 HE1 :: 6.572 HE2 :: 6.572 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 :: 119.677 Ave N Shift Values>> N :: 120.79(4.69) 1.P69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.76 C 0.22 C Shift Assignments>> CA :: 63.003 CB :: 31.586 CG :: 27.224 CD :: 49.025 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 :: 4.353 HB2 :: 1.767 HB3 :: 1.767 HG2 :: 1.910 HG3 :: 1.910 HD2 :: 3.426 HD3 :: 3.126 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.F70 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> Y 0.27 F 0.24 C 0.21 I 0.09 D 0.05 E 0.03 L 0.03 N 0.02 C Shift Assignments>> C :: 176.000 CA :: 57.522 CB :: 39.007 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 :: 7.980 HA :: 4.810 HB2 :: 3.889 HB3 :: 2.876 HD1 :: 6.804 HD2 :: 6.804 HE1 :: 0.839(A) HE2 :: 0.839(A) 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 :: 120.592 Ave N Shift Values>> N :: 120.69(4.18) SRO Rule Breaks>> (HE1 > HA : 0.9973) (HE2 > HA : 0.9969) (HE1 > HB2 : 0.9989) (HE2 > HB2 : 1.0000) (HE1 > HB3 : 0.9984) (HE2 > HB3 : 0.9994) 1.D71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 L 0.17 N 0.15 C 0.11 K 0.08 F 0.06 Y 0.05 R 0.02 C Shift Assignments>> C :: 176.800 CA :: 53.241 CB :: 41.100 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 :: 8.090 HA :: 4.656 HB2 :: 3.032 HB3 :: 2.606 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 :: 116.018 Ave N Shift Values>> N :: 120.73(4.2) 1.G72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.32 L 0.24 R 0.23 C 0.1 F 0.02 D 0.02 Y 0.01 K 0.01 C Shift Assignments>> C :: 169.600 CA :: 44.201 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.051 HA2 :: 3.564 HA3 :: 4.417 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.699 Ave N Shift Values>> N :: 109.91(4.29) 1.P73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.82 C 0.16 C Shift Assignments>> CA :: 63.866 CB :: 31.586 CG :: 27.220 CD :: 49.025 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 :: 3.836 HB2 :: 2.183 HB3 :: 1.673 HG2 :: 2.031 HG3 :: 1.876 HD2 :: 3.527 HD3 :: 3.527 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.R74 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> K 0.3 C 0.29 L 0.29 R 0.08 G 0.02 C Shift Assignments>> C :: 175.100 CA :: 56.445 CB :: 26.392 CG :: 28.247 CD :: 42.717 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 :: 11.766(A) HA :: 3.143 HB2 :: 2.138 HB3 :: 1.913 HG2 :: 1.523 HG3 :: 1.454 HD2 :: 3.175 HD3 :: 3.175 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 123.364 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) SRO Rule Breaks>> (HA > HD2 : 0.9912) 1.G75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 C 0.1 L 0.06 C Shift Assignments>> C :: 174.900 CA :: 46.057 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.384 HA2 :: 3.440 HA3 :: 4.060 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 112.664 Ave N Shift Values>> N :: 109.91(4.29) 1.T76 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> T 0.95 C 0.04 C Shift Assignments>> CA :: 64.336 CB :: 69.201 CG2 :: 22.682 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 :: 10.319(S) HA :: 4.019 HB :: 4.269 HG21 :: 1.450 HG22 :: 1.450 HG23 :: 1.450 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 :: 123.641 Ave N Shift Values>> N :: 115.7(5.05) 1.L77 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> A 0.39 G 0.3 C 0.24 L 0.05 C Shift Assignments>> C :: 175.100 CA :: 55.332 CB :: 44.201 CG :: 25.179 CD1 :: 24.537 CD2 :: 19.342 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 :: 8.285 HA :: 4.232 HB2 :: 1.189 HB3 :: 1.060 HG :: 1.175 HD11 :: -0.460(S) HD12 :: -0.460(S) HD13 :: -0.460(S) HD21 :: -0.858(S) HD22 :: -0.858(S) HD23 :: -0.858(S) 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 :: 126.000 Ave N Shift Values>> N :: 121.98(4.07) 1.A78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.37 L 0.31 C 0.13 M 0.13 K 0.02 C Shift Assignments>> C :: 175.100 CA :: 51.621 CB :: 22.311 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.459 HA :: 4.780 HB1 :: 1.200 HB2 :: 1.200 HB3 :: 1.200 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 114.493 Ave N Shift Values>> N :: 123.23(3.7) 1.H79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.17 R 0.14 C 0.14 Q 0.12 W 0.11 M 0.1 E 0.1 K 0.06 C Shift Assignments>> C :: 171.500 CA :: 54.590 CB :: 30.473 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 :: 8.942 HA :: 4.757 HB2 :: 2.997 HB3 :: 2.595 HD2 :: 6.215 HE1 :: 8.072 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 :: 115.408 ND1 :: 177.900 NE2 :: 199.301 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.A80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.34 C 0.25 L 0.21 G 0.05 K 0.04 A 0.03 M 0.02 R 0.01 HN Overlap>> 1.F81 1.F81 C Shift Assignments>> C :: 176.100 CA :: 49.396 CB :: 24.166 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.791 HA :: 4.951 HB1 :: 1.168 HB2 :: 1.168 HB3 :: 1.168 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 119.372 Ave N Shift Values>> N :: 123.23(3.7) 1.F81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.18 L 0.17 F 0.15 D 0.14 C 0.12 Y 0.12 R 0.04 N 0.02 I 0.01 HN Overlap>> 1.A80 1.A80 C Shift Assignments>> C :: 174.700 CA :: 56.445 CB :: 41.183 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 :: 7.770 HA :: 4.314 HB2 :: 3.093 HB3 :: 2.852 HD1 :: 6.992 HD2 :: 6.992 HE1 :: 6.742 HE2 :: 6.742 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 :: 119.372 Ave N Shift Values>> N :: 120.69(4.18) 1.A82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.8 M 0.16 C 0.01 C Shift Assignments>> C :: 174.500 CA :: 50.138 CB :: 16.745 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.046 HA :: 4.184 HB1 :: 1.165 HB2 :: 1.165 HB3 :: 1.165 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.422 Ave N Shift Values>> N :: 123.23(3.7) 1.P83 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Indeterminable PRTL>> P 0.84 C 0.15 C Shift Assignments>> CA :: 63.866 CB :: 31.215 CG :: 26.902 CD :: 49.205 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 :: 2.837(S) HB2 :: 0.593(S) HB3 :: -0.249(A) HG2 :: 1.520 HG3 :: 1.153 HD2 :: 3.311 HD3 :: 3.094 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.G84 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.37 L 0.27 G 0.09 C 0.08 D 0.04 K 0.04 F 0.04 Y 0.02 C Shift Assignments>> CA :: 43.459 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 5.413(S) HA2 :: 3.397 HA3 :: 3.992 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 105.955 Ave N Shift Values>> N :: 109.91(4.29) 1.E85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.35 C 0.33 M 0.13 K 0.07 Q 0.06 I 0.02 HN Overlap>> 1.D90 1.D90 C Shift Assignments>> C :: 177.900 CA :: 56.074 CB :: 30.473 CG :: 36.039 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 :: 8.374 HA :: 4.251 HB2 :: 2.069 HB3 :: 2.069 HG2 :: 2.263 HG3 :: 2.263 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 :: 117.848 Ave N Shift Values>> N :: 120.68(3.68) 1.G86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.77 C 0.15 L 0.04 C Shift Assignments>> C :: 174.900 CA :: 46.799 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.936 HA2 :: 3.686 HA3 :: 3.833 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 112.054 Ave N Shift Values>> N :: 109.91(4.29) 1.L87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.65 C 0.31 R 0.01 C Shift Assignments>> C :: 176.000 CA :: 55.803 CB :: 41.598 CG :: 26.603 CD1 :: 23.905 CD2 :: 23.704 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 :: 9.054 HA :: 4.053 HB2 :: 1.094 HB3 :: 0.627 HG :: 1.117 HD11 :: 0.570 HD12 :: 0.570 HD13 :: 0.570 HD21 :: 0.471 HD22 :: 0.471 HD23 :: 0.471 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 :: 134.314 Ave N Shift Values>> N :: 121.98(4.07) 1.G88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.72 C 0.2 L 0.03 A 0.01 P 0.01 C Shift Assignments>> C :: 174.800 CA :: 47.170 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.512 HA2 :: 3.003 HA3 :: 3.733 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 101.686 Ave N Shift Values>> N :: 109.91(4.29) 1.G89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 C 0.1 L 0.06 C Shift Assignments>> C :: 169.600 CA :: 46.057 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.610 HA2 :: 4.054 HA3 :: 4.533 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 119.067 Ave N Shift Values>> N :: 109.91(4.29) 1.D90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.23 D 0.23 C 0.16 Y 0.13 F 0.12 L 0.07 I 0.01 K 0.01 E 0.01 HN Overlap>> 1.E85 1.E85 C Shift Assignments>> C :: 175.800 CA :: 54.590 CB :: 39.436 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 :: 8.297 HA :: 4.747 HB2 :: 3.046 HB3 :: 2.703 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 117.848 Ave N Shift Values>> N :: 120.73(4.2) 1.T91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.88 C 0.11 C Shift Assignments>> C :: 172.400 CA :: 61.640 CB :: 72.029 CG2 :: 20.826 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 :: 8.460 HA :: 4.400 HB :: 3.514 HG1 :: 2.531 HG21 :: 0.350 HG22 :: 0.350 HG23 :: 0.350 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 :: 111.139 Ave N Shift Values>> N :: 115.7(5.05) 1.H92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.78 C 0.11 M 0.04 H 0.01 K 0.01 Q 0.01 HN Overlap>> 1.M101 1.M101 C Shift Assignments>> C :: 172.900 CA :: 50.138 CB :: 33.070 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 :: 8.975 HA :: 5.686 HB2 :: 2.878 HB3 :: 2.359 HD2 :: 7.201 HE1 :: 8.260 HE2 :: 13.260 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 :: 124.556 ND1 :: 208.860 NE2 :: 170.480 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.F93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.25 K 0.17 R 0.16 D 0.14 C 0.1 F 0.07 Y 0.05 N 0.01 C Shift Assignments>> C :: 174.300 CA :: 55.332 CB :: 42.346 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 :: 8.712 HA :: 4.397 HB2 :: 2.255 HB3 :: 2.255 HD1 :: 5.859 HD2 :: 5.859 HE1 :: 6.314 HE2 :: 6.314 HZ :: 6.179 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 121.507 Ave N Shift Values>> N :: 120.69(4.18) 1.D94 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> D 0.24 C 0.14 F 0.14 Y 0.13 L 0.12 N 0.12 K 0.04 I 0.01 C Shift Assignments>> C :: 178.300 CA :: 55.200 CB :: 40.120 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 :: 8.339 HA :: 3.770 HB2 :: 3.015 HB3 :: 0.993(S) Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 122.727 Ave N Shift Values>> N :: 120.73(4.2) 1.N95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.47 C 0.18 D 0.13 Y 0.08 F 0.05 E 0.02 L 0.02 M 0.01 C Shift Assignments>> C :: 175.700 CA :: 53.106 CB :: 38.265 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 :: 9.655 HA :: 4.992 HB2 :: 2.670 HB3 :: 2.193 HD21 :: 6.131 HD22 :: 7.320 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 128.825 ND2 :: 109.000 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.A96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.78 M 0.18 C 0.02 C Shift Assignments>> C :: 178.200 CA :: 52.170 CB :: 18.971 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.045 HA :: 4.163 HB1 :: 1.110 HB2 :: 1.110 HB3 :: 1.110 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.742 Ave N Shift Values>> N :: 123.23(3.7) 1.E97 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> C 0.34 Q 0.28 K 0.21 R 0.07 E 0.05 M 0.01 C Shift Assignments>> C :: 176.000 CA :: 53.479 CB :: 27.522 CG :: 34.184 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 :: 6.858 HA :: 4.281 HB2 :: 0.850(S) HB3 :: -0.036(A) HG2 :: 2.370 HG3 :: 1.388(S) 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 :: 110.834 Ave N Shift Values>> N :: 120.68(3.68) 1.K98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.38 C 0.3 R 0.27 M 0.02 C Shift Assignments>> C :: 174.300 CA :: 54.219 CB :: 30.473 CG :: 24.824 CD :: 28.919 CE :: 41.975 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 :: 8.119 HA :: 4.149 HB2 :: 1.742 HB3 :: 1.441 HG2 :: 1.324 HG3 :: 1.216 HD2 :: 1.503 HD3 :: 1.503 HE2 :: 2.851 HE3 :: 2.851 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 :: 122.727 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.W99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.14 H 0.14 C 0.13 W 0.13 E 0.12 M 0.1 Q 0.1 K 0.08 V 0.01 I 0.01 C Shift Assignments>> C :: 175.400 CA :: 56.414 CB :: 30.844 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 7.035 HA :: 5.119 HB2 :: 3.239 HB3 :: 2.757 HD1 :: 7.168 HE1 :: 10.097 HE3 :: 7.436 HZ2 :: 7.770 HZ3 :: 6.535 HH2 :: 6.836 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 :: 126.691 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.T100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 T 0.33 A 0.12 S 0.01 C Shift Assignments>> C :: 172.800 CA :: 59.244 CB :: 69.432 CG2 :: 17.487 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 :: 8.211 HA :: 4.742 HB :: 3.816 HG21 :: 0.468 HG22 :: 0.468 HG23 :: 0.468 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 114.798 Ave N Shift Values>> N :: 115.7(5.05) 1.M101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.39 C 0.37 A 0.23 HN Overlap>> 1.H92 1.H92 C Shift Assignments>> C :: 177.500 CA :: 54.590 CB :: 32.315 CG :: 33.813 CE :: 16.901 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 :: 8.934 HA :: 4.962 HB2 :: 2.293 HB3 :: 1.963 HG2 :: 2.893 HG3 :: 2.593 HE1 :: 2.076 HE2 :: 2.076 HE3 :: 2.076 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 :: 124.556 Ave N Shift Values>> N :: 120.1(3.88) 1.G102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.32 L 0.24 R 0.23 C 0.1 F 0.02 D 0.02 Y 0.01 K 0.01 C Shift Assignments>> C :: 173.100 CA :: 44.201 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.938 HA2 :: 3.719 HA3 :: 4.593 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 112.359 Ave N Shift Values>> N :: 109.91(4.29) 1.T103 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> T 0.87 C 0.11 C Shift Assignments>> C :: 175.000 CA :: 60.156 CB :: 69.432 CG2 :: 19.713 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 :: 8.151 HA :: 4.261 HB :: 4.018 HG21 :: 0.213(S) HG22 :: 0.213(S) HG23 :: 0.213(S) Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 110.834 Ave N Shift Values>> N :: 115.7(5.05) 1.N104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 N 0.24 M 0.14 E 0.07 K 0.05 Q 0.03 Y 0.03 F 0.01 C Shift Assignments>> CA :: 52.364 CB :: 35.668 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>> HA :: 4.658 HB2 :: 2.758 HB3 :: 2.638 HD21 :: 7.523 HD22 :: 6.930 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>> ND2 :: 113.000 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.G105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.38 L 0.27 C 0.07 K 0.07 D 0.05 F 0.04 G 0.04 Y 0.03 I 0.01 C Shift Assignments>> C :: 172.300 CA :: 43.088 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.509 HA2 :: 4.021 HA3 :: 3.248 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.614 Ave N Shift Values>> N :: 109.91(4.29) 1.F106 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> Y 0.27 F 0.26 C 0.19 I 0.1 D 0.05 L 0.04 E 0.01 N 0.01 K 0.01 C Shift Assignments>> C :: 173.800 CA :: 57.930 CB :: 39.484 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 :: 8.065 HA :: 3.904 HB2 :: 1.986 HB3 :: 1.558(S) HD1 :: 5.605 HD2 :: 5.605 HE1 :: 6.730 HE2 :: 6.730 HZ :: 6.700 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 :: 119.067 Ave N Shift Values>> N :: 120.69(4.18) 1.N107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.23 L 0.2 K 0.15 C 0.11 F 0.09 Y 0.08 N 0.06 R 0.04 C Shift Assignments>> C :: 175.600 CA :: 54.961 CB :: 41.285 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 :: 8.838 HA :: 5.087 HB2 :: 3.309 HB3 :: 3.198 HD21 :: 7.520 HD22 :: 6.920 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 :: 123.641 ND2 :: 110.500 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.L108 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.53 R 0.22 L 0.2 A 0.02 K 0.01 C Shift Assignments>> C :: 176.800 CA :: 57.558 CB :: 41.260 CG :: 26.818 CD1 :: 28.146 CD2 :: 21.940 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 :: 8.995 HA :: 4.196 HB2 :: 1.478 HB3 :: 1.410 HG :: 1.031 HD11 :: 0.700 HD12 :: 0.700 HD13 :: 0.700 HD21 :: -0.502(S) HD22 :: -0.502(S) HD23 :: -0.502(S) Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 129.726 Ave N Shift Values>> N :: 121.98(4.07) 1.F109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.45 C 0.19 Y 0.16 F 0.13 E 0.03 V 0.01 C Shift Assignments>> C :: 174.500 CA :: 61.640 CB :: 37.894 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 :: 8.029 HA :: 3.809 HB2 :: 3.431 HB3 :: 2.947 HD1 :: 7.058 HD2 :: 7.058 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 117.848 Ave N Shift Values>> N :: 120.69(4.18) 1.T110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.900 CA :: 68.318 CB :: 69.823 CG2 :: 21.569 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 :: 8.495 HA :: 3.018 HB :: 4.601 HG21 :: 1.222 HG22 :: 1.222 HG23 :: 1.222 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 :: 115.408 Ave N Shift Values>> N :: 115.7(5.05) 1.V111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.91 C 0.08 C Shift Assignments>> C :: 176.600 CA :: 65.768 CB :: 32.328 CG1 :: 23.424 CG2 :: 21.940 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 :: 7.461 HA :: 3.895 HB :: 2.082 HG11 :: 1.091 HG12 :: 1.091 HG13 :: 1.091 HG21 :: 1.090 HG22 :: 1.090 HG23 :: 1.090 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 :: 117.848 Ave N Shift Values>> N :: 121.02(4.96) 1.A112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.66 A 0.26 I 0.04 C 0.02 C Shift Assignments>> C :: 176.600 CA :: 54.961 CB :: 16.745 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.409 HA :: 3.369 HB1 :: 0.881 HB2 :: 0.881 HB3 :: 0.881 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.507 Ave N Shift Values>> N :: 123.23(3.7) 1.A113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.73 I 0.12 A 0.1 C 0.02 C Shift Assignments>> C :: 180.000 CA :: 56.445 CB :: 16.745 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.518 HA :: 3.793 HB1 :: 0.762 HB2 :: 0.762 HB3 :: 0.762 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 117.848 Ave N Shift Values>> N :: 123.23(3.7) 1.H114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.13 K 0.13 C 0.12 Q 0.11 E 0.11 R 0.1 I 0.1 H 0.09 L 0.02 M 0.01 C Shift Assignments>> C :: 176.200 CA :: 58.672 CB :: 28.618 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 :: 7.398 HA :: 4.374 HB2 :: 3.855 HB3 :: 3.095 HD1 :: 12.702 HD2 :: 6.868 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 :: 118.152 ND1 :: 172.900 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.E115 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.27 K 0.26 Q 0.19 R 0.17 M 0.04 E 0.03 HN Overlap>> 1.S22 1.S22 C Shift Assignments>> C :: 178.900 CA :: 57.930 CB :: 28.247 CG :: 32.699 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 :: 8.764 HA :: 3.834 HB2 :: 1.811 HB3 :: 1.504 HG2 :: 2.746 HG3 :: 1.433(S) 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 :: 116.933 Ave N Shift Values>> N :: 120.68(3.68) 1.F116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 Y 0.26 F 0.19 H 0.01 C Shift Assignments>> C :: 176.700 CA :: 56.817 CB :: 36.410 CE1 :: 130.500 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 :: 8.997 HA :: 4.503 HB2 :: 2.737 HB3 :: 2.737 HD1 :: 6.640 HD2 :: 6.640 HE1 :: 7.079 HE2 :: 7.079 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 117.423 Ave N Shift Values>> N :: 120.69(4.18) 1.G117 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.44 C 0.27 P 0.14 A 0.06 N 0.02 L 0.01 D 0.01 C Shift Assignments>> C :: 177.400 CA :: 47.912 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.548 HA2 :: 2.187(S) HA3 :: 4.050 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.700 Ave N Shift Values>> N :: 109.91(4.29) 1.H118 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.15 Q 0.14 R 0.13 C 0.11 H 0.11 W 0.11 E 0.1 L 0.06 I 0.04 M 0.01 HN Overlap>> 1.K16 1.K16 C Shift Assignments>> C :: 180.100(A) CA :: 57.291 CB :: 28.247 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 :: 6.959 HA :: 4.859 HB2 :: 3.549 HB3 :: 2.488 HD2 :: 6.628 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 120.287 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.A119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.62 M 0.33 C 0.02 C Shift Assignments>> C :: 177.700 CA :: 53.477 CB :: 18.230 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.314 HA :: 4.529 HB1 :: 1.570 HB2 :: 1.570 HB3 :: 1.570 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.946 Ave N Shift Values>> N :: 123.23(3.7) 1.L120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.6 C 0.23 A 0.09 G 0.04 R 0.01 C Shift Assignments>> C :: 177.700 CA :: 54.590 CB :: 42.717 CG :: 26.021 CD1 :: 24.166 CD2 :: 22.311 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 :: 7.246 HA :: 4.487 HB2 :: 1.591 HB3 :: 1.520 HG :: 1.908 HD11 :: 0.303 HD12 :: 0.303 HD13 :: 0.303 HD21 :: 0.708 HD22 :: 0.708 HD23 :: 0.708 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 :: 112.054 Ave N Shift Values>> N :: 121.98(4.07) 1.G121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.33 L 0.24 R 0.22 C 0.1 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> C :: 173.700 CA :: 44.242 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.944 HA2 :: 3.229 HA3 :: 4.658 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.175 Ave N Shift Values>> N :: 109.91(4.29) 1.L122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.47 C 0.28 A 0.12 R 0.1 G 0.01 HN Overlap>> 1.F45 1.F45 C Shift Assignments>> C :: 175.900 CA :: 54.961 CB :: 41.975 CG :: 26.763 CD1 :: 26.763 CD2 :: 21.940 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 :: 8.388 HA :: 4.331 HB2 :: 1.480 HB3 :: 1.100 HG :: 1.311 HD11 :: 0.792 HD12 :: 0.792 HD13 :: 0.792 HD21 :: 0.652 HD22 :: 0.652 HD23 :: 0.652 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 :: 120.592 Ave N Shift Values>> N :: 121.98(4.07) 1.A123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.8 G 0.07 C 0.05 M 0.05 L 0.01 HN Overlap>> 1.Y138 1.Y138 C Shift Assignments>> C :: 176.800 CA :: 49.025 CB :: 20.455 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.232 HA :: 4.473 HB1 :: 1.350 HB2 :: 1.350 HB3 :: 1.350 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.251 Ave N Shift Values>> N :: 123.23(3.7) 1.H124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.16 H 0.15 K 0.15 C 0.11 W 0.11 E 0.1 R 0.09 M 0.03 L 0.03 I 0.01 C Shift Assignments>> C :: 174.800 CA :: 55.703 CB :: 28.989 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 :: 8.073 HA :: 4.876 HB2 :: 3.029 HB3 :: 2.876 HD1 :: 13.130 HD2 :: 6.653 HE1 :: 8.010 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 :: 114.798 ND1 :: 172.200 NE2 :: 217.000 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.S125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 C Shift Assignments>> C :: 175.700 CA :: 54.590 CB :: 64.979 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 6.890 HA :: 4.717 HB2 :: 4.169 HB3 :: 3.119 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 :: 114.188 Ave N Shift Values>> N :: 116.3(3.95) 1.T126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 HN Overlap>> 1.S129 1.S129 C Shift Assignments>> C :: 173.800 CA :: 61.568 CB :: 68.929 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 :: 8.627 HA :: 4.736 HB :: 4.498 HG21 :: 1.204 HG22 :: 1.204 HG23 :: 1.204 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 :: 115.103 Ave N Shift Values>> N :: 115.7(5.05) 1.D127 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>> C :: 174.300 CA :: 50.575 CB :: 41.233 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 :: 8.836 HA :: 4.753 HB2 :: 2.858 HB3 :: 2.362 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 126.691 Ave N Shift Values>> N :: 120.73(4.2) 1.P128 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> P 0.74 C 0.25 C Shift Assignments>> CA :: 62.382 CB :: 31.586 CG :: 26.763 CD :: 50.880 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 :: 2.385(S) HB2 :: 1.539 HB3 :: 1.539 HG2 :: 1.926 HG3 :: 1.775 HD2 :: 4.142 HD3 :: 3.580 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.S129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.T126 1.T126 C Shift Assignments>> C :: 173.800 CA :: 58.672 CB :: 64.158 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.558 HA :: 4.324 HB2 :: 3.939 HB3 :: 3.500 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 :: 115.103 Ave N Shift Values>> N :: 116.3(3.95) 1.A130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.8 M 0.13 C 0.03 L 0.01 C Shift Assignments>> C :: 179.900 CA :: 51.622 CB :: 20.087 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.998 HA :: 4.351 HB1 :: 1.739 HB2 :: 1.739 HB3 :: 1.739 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.471 Ave N Shift Values>> N :: 123.23(3.7) 1.L131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> L 0.51 C 0.32 R 0.12 G 0.03 C Shift Assignments>> CA :: 57.559 CB :: 42.717 CG :: 27.134 CD1 :: 24.537 CD2 :: 25.279 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 :: 6.907 HA :: 4.190 HB2 :: 1.656 HB3 :: 1.525 HG :: 1.638 HD11 :: 0.835 HD12 :: 0.835 HD13 :: 0.835 HD21 :: 0.756 HD22 :: 0.756 HD23 :: 0.756 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) 1.M132 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.98 M 0.01 C Shift Assignments>> CA :: 53.137 CB :: 26.763 CG :: 30.102 CE :: 10.809 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 :: 8.316 HA :: 4.471 HB2 :: 2.460 HB3 :: 2.192 HG2 :: 2.982 HG3 :: 2.600 HE1 :: 0.294(S) HE2 :: 0.294(S) HE3 :: 0.294(S) 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 :: 112.100 Ave N Shift Values>> N :: 120.1(3.88) 1.Y133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.23 C 0.21 F 0.2 D 0.11 N 0.08 L 0.05 I 0.05 E 0.03 C Shift Assignments>> CA :: 56.445 CB :: 39.007 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 7.769 HA :: 4.939 HB2 :: 3.498 HB3 :: 3.070 HD1 :: 7.100 HD2 :: 7.100 HE1 :: 6.652 HE2 :: 6.652 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 :: 128.200 Ave N Shift Values>> N :: 120.79(4.69) 1.P134 Overall: Suspicious Typing: Suspicious SRO: Suspicious C Shifts: Suspicious H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.95 G 0.04 C Shift Assignments>> CA :: 63.669 CB :: 27.670 CG :: 31.957(S) CD :: 49.072 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 :: 3.853 HB2 :: 2.027 HB3 :: 1.958 HG2 :: 2.178 HG3 :: 1.683 HD2 :: 3.577 HD3 :: 3.517 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) SRO Rule Breaks>> (CB > CG : 0.9931) 1.T135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.9 C 0.09 C Shift Assignments>> C :: 173.700 CA :: 61.640 CB :: 70.916 CG2 :: 21.880 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 :: 7.197 HA :: 4.516 HB :: 3.960 HG21 :: 1.214 HG22 :: 1.214 HG23 :: 1.214 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 :: 115.103 Ave N Shift Values>> N :: 115.7(5.05) 1.Y136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.36 C 0.22 Y 0.17 F 0.13 E 0.07 V 0.01 C Shift Assignments>> C :: 173.700 CA :: 60.898 CB :: 37.523 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 :: 9.358 HA :: 4.022 HB2 :: 2.936 HB3 :: 2.500 HD1 :: 6.676 HD2 :: 6.676 HE1 :: 6.970 HE2 :: 6.970 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 :: 126.081 Ave N Shift Values>> N :: 120.79(4.69) 1.K137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.42 C 0.4 R 0.13 M 0.01 C Shift Assignments>> C :: 173.700 CA :: 55.332 CB :: 34.926 CG :: 24.600 CD :: 28.991 CE :: 41.975 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 :: 6.921 HA :: 3.892 HB2 :: 1.581 HB3 :: 1.542 HD2 :: 1.657 HD3 :: 1.657 HE2 :: 2.927 HE3 :: 2.927 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 :: 129.435 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.Y138 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.26 Y 0.25 F 0.22 C 0.2 E 0.03 HN Overlap>> 1.A123 1.A123 C Shift Assignments>> C :: 174.000 CA :: 59.793 CB :: 38.636 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 :: 8.342 HA :: 3.823 HB2 :: 3.146 HB3 :: 2.581 HD1 :: 6.864 HD2 :: 6.864 HE1 :: 6.632 HE2 :: 6.632 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 :: 124.251 Ave N Shift Values>> N :: 120.79(4.69) 1.K139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.51 C 0.32 R 0.11 M 0.02 G 0.01 C Shift Assignments>> C :: 171.500 CA :: 53.106 CB :: 33.442 CG :: 24.537 CD :: 28.618 CE :: 41.965 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 :: 7.472 HA :: 4.038 HB2 :: 1.656 HB3 :: 1.453 HG2 :: 1.616 HG3 :: 1.507 HD2 :: 1.750 HD3 :: 1.750 HE2 :: 2.925 HE3 :: 2.925 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 :: 129.435 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.N140 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.58 C 0.22 D 0.12 Y 0.02 F 0.02 L 0.01 C Shift Assignments>> C :: 174.900 CA :: 49.767 CB :: 38.636 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 :: 7.476 HA :: 4.333 HB2 :: 2.875 HB3 :: 2.659 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 :: 118.762 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.P141 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> P 0.82 C 0.17 C Shift Assignments>> CA :: 63.800 CB :: 30.085 CG :: 26.000 CD :: 50.138 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 :: 2.787(S) HB2 :: 0.837 HB3 :: 0.330(S) HG2 :: 1.561 HG3 :: 1.561 HD2 :: 3.901 HD3 :: 3.901 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.Y142 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 E 0.26 Y 0.14 I 0.1 F 0.07 M 0.05 K 0.03 V 0.02 Q 0.01 C Shift Assignments>> C :: 176.100 CA :: 58.672 CB :: 36.424 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 7.515 HA :: 4.099 HB2 :: 2.822 HB3 :: 2.740 HD1 :: 7.091 HD2 :: 7.091 HE1 :: 6.710 HE2 :: 6.710 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 :: 117.543 Ave N Shift Values>> N :: 120.79(4.69) 1.G143 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.67 L 0.13 C 0.09 R 0.07 F 0.01 HN Overlap>> 1.S58 1.S58 C Shift Assignments>> C :: 173.800 CA :: 44.979 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.610 HA2 :: 3.510 HA3 :: 3.773 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 115.713 Ave N Shift Values>> N :: 109.91(4.29) 1.F144 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.27 Y 0.26 I 0.19 C 0.19 L 0.02 E 0.01 D 0.01 C Shift Assignments>> C :: 175.100 CA :: 59.247 CB :: 39.378 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 :: 6.898 HA :: 4.068 HB2 :: 3.326 HB3 :: 2.434 HD1 :: 7.060 HD2 :: 7.060 HE1 :: 6.271 HE2 :: 6.271 HZ :: 5.700 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 :: 119.372 Ave N Shift Values>> N :: 120.69(4.18) 1.H145 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.21 C 0.2 H 0.13 K 0.12 R 0.11 W 0.08 Q 0.05 E 0.05 C Shift Assignments>> C :: 172.200 CA :: 53.477 CB :: 31.900 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 :: 7.088 HA :: 4.280 HB2 :: 2.786 HB3 :: 2.588 HD2 :: 6.825 HE1 :: 6.902 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 :: 124.401 ND1 :: 172.900 NE2 :: 214.300 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.L146 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.72 C 0.17 G 0.05 A 0.02 R 0.01 C Shift Assignments>> C :: 172.100 CA :: 53.106 CB :: 42.669 CG :: 25.705 CD1 :: 24.908 CD2 :: 23.795 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 :: 8.161 HA :: 3.814 HB2 :: 1.322 HB3 :: 1.215 HG :: 0.820 HD11 :: 0.197 HD12 :: 0.197 HD13 :: 0.197 HD21 :: 0.222 HD22 :: 0.222 HD23 :: 0.222 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 124.556 Ave N Shift Values>> N :: 121.98(4.07) 1.P147 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.69 C 0.3 C Shift Assignments>> CA :: 62.382 CB :: 33.070 CG :: 27.876 CD :: 50.880 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 :: 4.202 HB2 :: 2.284 HB3 :: 2.324 HG2 :: 2.029 HG3 :: 1.856 HD2 :: 3.883 HD3 :: 4.103 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.K148 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.4 C 0.35 R 0.2 M 0.01 C Shift Assignments>> C :: 178.600 CA :: 59.785 CB :: 31.957 CG :: 24.537 CD :: 28.802 CE :: 41.975 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 :: 8.355 HA :: 3.803 HB2 :: 1.809 HB3 :: 1.749 HG2 :: 1.513 HG3 :: 1.411 HD2 :: 1.630 HD3 :: 1.630 HE2 :: 2.929 HE3 :: 2.929 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 :: 122.117 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.D149 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.33 L 0.16 C 0.15 F 0.09 G 0.07 K 0.07 Y 0.06 D 0.02 I 0.01 C Shift Assignments>> C :: 178.100 CA :: 58.301 CB :: 43.459 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 :: 9.123 HA :: 4.260 HB2 :: 2.794 HB3 :: 2.225 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 :: 118.080 Ave N Shift Values>> N :: 120.73(4.2) 1.D150 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.24 L 0.22 K 0.16 C 0.11 F 0.08 D 0.07 Y 0.06 G 0.01 C Shift Assignments>> C :: 178.100 CA :: 56.652 CB :: 42.717 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 :: 6.998 HA :: 4.701 HB2 :: 2.849 HB3 :: 2.660 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 :: 116.003 Ave N Shift Values>> N :: 120.73(4.2) 1.V151 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 :: 177.600 CA :: 66.704 CB :: 31.606 CG1 :: 23.424 CG2 :: 20.826 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 :: 8.002 HA :: 3.388 HB :: 2.059 HG11 :: 0.875 HG12 :: 0.875 HG13 :: 0.875 HG21 :: 0.815 HG22 :: 0.815 HG23 :: 0.815 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 :: 119.200 Ave N Shift Values>> N :: 121.02(4.96) 1.K152 Overall: Suspicious Typing: Suspicious SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.61 R 0.32 M 0.05 C Shift Assignments>> C :: 180.200 CA :: 59.043 CB :: 31.586 CG :: 29.077 CD :: 24.100(S) CE :: 41.740 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 :: 8.040 HA :: 3.953 HB2 :: 1.856 HB3 :: 1.856 HG2 :: 1.611 HG3 :: 1.611 HD2 :: 1.347 HD3 :: 1.347 HE2 :: 2.927 HE3 :: 2.927 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 117.543 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.G153 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.72 C 0.2 L 0.03 A 0.01 P 0.01 C Shift Assignments>> C :: 176.500 CA :: 47.170 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.041 HA2 :: 3.818 HA3 :: 3.983 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 105.955 Ave N Shift Values>> N :: 109.91(4.29) 1.I154 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.61 I 0.35 M 0.01 V 0.01 C Shift Assignments>> C :: 178.300 CA :: 60.700 CB :: 39.007 CG1 :: 30.473 CG2 :: 20.084 CD1 :: 15.632 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 :: 8.880 HA :: 4.561 HB :: 2.294 HG12 :: 1.958 HG13 :: 1.704 HG21 :: 1.589 HG22 :: 1.589 HG23 :: 1.589 HD11 :: 0.964 HD12 :: 0.964 HD13 :: 0.964 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 122.600 Ave N Shift Values>> N :: 121.6(4.72) 1.Q155 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 Q 0.19 K 0.14 E 0.09 I 0.06 R 0.06 M 0.01 C Shift Assignments>> C :: 179.100 CA :: 58.301 CB :: 26.763 CG :: 34.555 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.667 HA :: 3.992 HB2 :: 2.161 HB3 :: 2.161 HG2 :: 2.840 HG3 :: 2.372 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 :: 123.031 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.A156 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.57 A 0.37 I 0.02 C 0.02 C Shift Assignments>> C :: 178.700 CA :: 54.520 CB :: 17.116 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.739 HA :: 4.081 HB1 :: 1.471 HB2 :: 1.471 HB3 :: 1.471 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.727 Ave N Shift Values>> N :: 123.23(3.7) 1.L157 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.48 C 0.27 G 0.15 R 0.06 A 0.01 C Shift Assignments>> C :: 177.500 CA :: 56.424 CB :: 43.830 CG :: 26.530 CD1 :: 25.279 CD2 :: 22.682 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 :: 6.750 HA :: 4.057 HB2 :: 1.721 HB3 :: 0.491 HG :: 1.513 HD11 :: 0.816 HD12 :: 0.816 HD13 :: 0.816 HD21 :: 0.648 HD22 :: 0.648 HD23 :: 0.648 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 :: 114.798 Ave N Shift Values>> N :: 121.98(4.07) 1.Y158 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.27 Y 0.23 C 0.17 I 0.13 K 0.07 L 0.05 D 0.02 R 0.01 C Shift Assignments>> C :: 175.900 CA :: 59.043 CB :: 40.491 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 7.420 HA :: 4.617 HB2 :: 2.546 HB3 :: 3.270 HD1 :: 7.276 HD2 :: 7.276 HE1 :: 7.240 HE2 :: 7.240 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 :: 112.359 Ave N Shift Values>> N :: 120.79(4.69) 1.G159 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.34 L 0.27 G 0.14 C 0.09 D 0.04 F 0.03 K 0.02 Y 0.02 C Shift Assignments>> C :: 168.900 CA :: 43.686 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.243 HA2 :: 4.019 HA3 :: 4.241 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.614 Ave N Shift Values>> N :: 109.91(4.29) 1.P160 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Indeterminable PRTL>> P 0.86 C 0.05 G 0.03 L 0.01 C Shift Assignments>> CG :: 26.900 CD :: 48.800 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>> HB2 :: 1.990 HB3 :: 1.863 HG2 :: 1.880 HG3 :: 1.944 HD2 :: 4.677(A) HD3 :: 3.490 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) 2.ZN1 Overall Status: Residue type ZN not supported. 3.CA1 Overall Status: Residue type CA not supported. 4.NGH1 Overall Status: Residue type NGH not supported. ########################################################################### Overall Results: #Consistent: 135 #Clerical: 0 #Suspicious: 18 #Anomalous: 7 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 156 #Suspicious: 2 #Mistyped: 0 #Indeterminable: 2 Shift Relative Order (SRO) Results: #Consistent: 157 #Suspicious: 3 C Shift Results: #Consistent: 576 #Duplicate: 0 #Unknown: 0 #Suspicious: 2 #Anomalous: 1 H Shift Results: #Consistent:1009 #Duplicate: 0 #Unknown: 0 #Suspicious: 46 #Anomalous: 7 N Shift Results: #Consistent: 161 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.L10 HD11 = -0.176(S), Expected = 0.77, Std = 0.2700, ChiSquare = 4.5884e-04 1.L10 HD12 = -0.176(S), Expected = 0.77, Std = 0.2700, ChiSquare = 4.5884e-04 1.L10 HD13 = -0.176(S), Expected = 0.77, Std = 0.2700, ChiSquare = 4.5884e-04 1.L10 HD21 = -0.391(S), Expected = 0.76, Std = 0.2800, ChiSquare = 3.9444e-05 1.L10 HD22 = -0.391(S), Expected = 0.76, Std = 0.2800, ChiSquare = 3.9444e-05 1.L10 HD23 = -0.391(S), Expected = 0.76, Std = 0.2800, ChiSquare = 3.9444e-05 1.T18 H = 5.492(A), Expected = 8.27, Std = 0.6200, ChiSquare = 7.4418e-06 1.T18 HG21 = 0.209(S), Expected = 1.16, Std = 0.2800, ChiSquare = 6.8271e-04 1.T18 HG22 = 0.209(S), Expected = 1.16, Std = 0.2800, ChiSquare = 6.8271e-04 1.T18 HG23 = 0.209(S), Expected = 1.16, Std = 0.2800, ChiSquare = 6.8271e-04 1.L34 HD11 = -0.900(S), Expected = 0.77, Std = 0.2700, ChiSquare = 6.2030e-10 1.L34 HD12 = -0.900(S), Expected = 0.77, Std = 0.2700, ChiSquare = 6.2030e-10 1.L34 HD13 = -0.900(S), Expected = 0.77, Std = 0.2700, ChiSquare = 6.2030e-10 1.L34 HD21 = -1.308(S), Expected = 0.76, Std = 0.2800, ChiSquare = 1.5164e-13 1.L34 HD22 = -1.308(S), Expected = 0.76, Std = 0.2800, ChiSquare = 1.5164e-13 1.L34 HD23 = -1.308(S), Expected = 0.76, Std = 0.2800, ChiSquare = 1.5164e-13 1.L43 HB2 = 0.393(S), Expected = 1.63, Std = 0.3400, ChiSquare = 2.7451e-04 1.E60 HB3 = 0.636(S), Expected = 2.04, Std = 0.2300, ChiSquare = 1.0322e-09 1.E60 HG3 = 1.157(S), Expected = 2.31, Std = 0.2100, ChiSquare = 4.0085e-08 1.F70 HE1 = 0.839(A), Expected = 6.95, Std = 0.8200, ChiSquare = 9.1630e-14 1.F70 HE2 = 0.839(A), Expected = 6.94, Std = 0.8600, ChiSquare = 1.3011e-12 1.F70 SRO Rule Break>> HE1 > HA : 0.997334754797441 1.F70 SRO Rule Break>> HE2 > HA : 0.996867167919799 1.F70 SRO Rule Break>> HE1 > HB2 : 0.998929336188437 1.F70 SRO Rule Break>> HE2 > HB2 : 1 1.F70 SRO Rule Break>> HE1 > HB3 : 0.998385360602799 1.F70 SRO Rule Break>> HE2 > HB3 : 0.99937343358396 1.R74 H = 11.766(A), Expected = 8.24, Std = 0.6000, ChiSquare = 4.1861e-09 1.R74 SRO Rule Break>> HA > HD2 : 0.991153846153846 1.T76 H = 10.319(S), Expected = 8.27, Std = 0.6200, ChiSquare = 9.5031e-04 1.L77 HD11 = -0.460(S), Expected = 0.77, Std = 0.2700, ChiSquare = 5.2247e-06 1.L77 HD12 = -0.460(S), Expected = 0.77, Std = 0.2700, ChiSquare = 5.2247e-06 1.L77 HD13 = -0.460(S), Expected = 0.77, Std = 0.2700, ChiSquare = 5.2247e-06 1.L77 HD21 = -0.858(S), Expected = 0.76, Std = 0.2800, ChiSquare = 7.5338e-09 1.L77 HD22 = -0.858(S), Expected = 0.76, Std = 0.2800, ChiSquare = 7.5338e-09 1.L77 HD23 = -0.858(S), Expected = 0.76, Std = 0.2800, ChiSquare = 7.5338e-09 1.P83 HA = 2.837(S), Expected = 4.41, Std = 0.3600, ChiSquare = 1.2456e-05 1.P83 HB2 = 0.593(S), Expected = 2.05, Std = 0.3900, ChiSquare = 1.8705e-04 1.P83 HB3 = -0.249(A), Expected = 2.05, Std = 0.3900, ChiSquare = 3.7497e-09 1.G84 H = 5.413(S), Expected = 8.34, Std = 0.7400, ChiSquare = 7.6405e-05 1.D94 HB3 = 0.993(S), Expected = 2.70, Std = 0.2900, ChiSquare = 3.9516e-09 1.E97 HB2 = 0.850(S), Expected = 2.04, Std = 0.2200, ChiSquare = 6.3345e-08 1.E97 HB3 = -0.036(A), Expected = 2.04, Std = 0.2300, ChiSquare = 1.7792e-19 1.E97 HG3 = 1.388(S), Expected = 2.31, Std = 0.2100, ChiSquare = 1.1310e-05 1.T103 HG21 = 0.213(S), Expected = 1.16, Std = 0.2800, ChiSquare = 7.1923e-04 1.T103 HG22 = 0.213(S), Expected = 1.16, Std = 0.2800, ChiSquare = 7.1923e-04 1.T103 HG23 = 0.213(S), Expected = 1.16, Std = 0.2800, ChiSquare = 7.1923e-04 1.F106 HB3 = 1.558(S), Expected = 2.97, Std = 0.3800, ChiSquare = 2.0257e-04 1.L108 HD21 = -0.502(S), Expected = 0.76, Std = 0.2800, ChiSquare = 6.5706e-06 1.L108 HD22 = -0.502(S), Expected = 0.76, Std = 0.2800, ChiSquare = 6.5706e-06 1.L108 HD23 = -0.502(S), Expected = 0.76, Std = 0.2800, ChiSquare = 6.5706e-06 1.E115 HG3 = 1.433(S), Expected = 2.31, Std = 0.2100, ChiSquare = 2.9643e-05 1.G117 HA2 = 2.187(S), Expected = 3.95, Std = 0.4000, ChiSquare = 1.0457e-05 1.H118 C = 180.100(A), Expected = 175.19, Std = 2.1400, ChiSquare = 2.1768e-02 1.P128 HA = 2.385(S), Expected = 4.41, Std = 0.3600, ChiSquare = 1.8551e-08 1.M132 HE1 = 0.294(S), Expected = 1.86, Std = 0.4700, ChiSquare = 8.6251e-04 1.M132 HE2 = 0.294(S), Expected = 1.86, Std = 0.4700, ChiSquare = 8.6251e-04 1.M132 HE3 = 0.294(S), Expected = 1.86, Std = 0.4700, ChiSquare = 8.6251e-04 1.P134 Typing: Suspicious 1.P134 CG = 31.957(S), Expected = 27.14, Std = 1.1800, ChiSquare = 4.4611e-05 1.P134 SRO Rule Break>> CB > CG : 0.993121238177128 1.P141 HA = 2.787(S), Expected = 4.41, Std = 0.3600, ChiSquare = 6.5339e-06 1.P141 HB3 = 0.330(S), Expected = 2.05, Std = 0.3900, ChiSquare = 1.0325e-05 1.K152 Typing: Suspicious 1.K152 CD = 24.100(S), Expected = 28.78, Std = 1.3900, ChiSquare = 7.6016e-04 1.P160 HD2 = 4.677(A), Expected = 3.64, Std = 0.3600, ChiSquare = 3.9697e-03