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.P2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.L3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G4 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S5 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.E6 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.N7 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.R8 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.12 F 0.11 Y 0.1 W 0.09 C 0.09 E 0.07 R 0.06 K 0.05 Q 0.04 H 0.04 M 0.03 I 0.03 V 0.02 L 0.02 T 0.02 C Shift Assignments>> CA :: 58.531 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.475 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 :: 117.432 Ave N Shift Values>> N :: 116.3(3.95) 1.K10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.1 H 0.09 K 0.09 R 0.09 M 0.08 C 0.08 E 0.07 W 0.07 L 0.06 Y 0.06 F 0.05 S 0.03 D 0.03 N 0.01 C Shift Assignments>> C :: 174.594 CA :: 56.603 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 :: 8.527 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 :: 123.104 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.T11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.93 C 0.06 C Shift Assignments>> C :: 174.393 CA :: 62.149 CB :: 69.183 CG2 :: 21.592 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 :: 8.245 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 113.245 Ave N Shift Values>> N :: 115.7(5.05) 1.T12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.59 C 0.39 C Shift Assignments>> C :: 174.726 CA :: 59.602 CB :: 72.805 CG2 :: 21.698 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 :: 7.769 HA :: 5.583 HB :: 3.979 HG21 :: 1.069 HG22 :: 1.069 HG23 :: 1.069 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 113.440 Ave N Shift Values>> N :: 115.7(5.05) 1.S13 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> T 0.89 S 0.1 C Shift Assignments>> C :: 171.426 CA :: 59.056 CB :: 67.839 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.593 HA :: 4.448 HB2 :: 3.075 HB3 :: 2.749(S) 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 :: 119.042 Ave N Shift Values>> N :: 116.3(3.95) 1.T14 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 :: 171.565 CA :: 61.291 CB :: 71.654 CG2 :: 21.450 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 :: 8.155 HA :: 5.383 HB :: 3.664 HG21 :: 1.064 HG22 :: 1.064 HG23 :: 1.064 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 118.204 Ave N Shift Values>> N :: 115.7(5.05) 1.W15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.84 W 0.14 C Shift Assignments>> C :: 174.399 CA :: 58.302 CB :: 34.810 CG :: 112.661 CD1 :: 128.518 CE3 :: 121.706 CZ2 :: 113.020 CZ3 :: 121.041 CH2 :: 122.716 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 9.637 HA :: 4.807 HB2 :: 2.895 HB3 :: 2.895 HD1 :: 7.087 HE1 :: 10.364 HE3 :: 7.504 HZ2 :: 7.169 HZ3 :: 6.713 HH2 :: 6.678 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 :: 125.132 NE1 :: 129.807 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.V16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.57 C 0.41 C Shift Assignments>> C :: 174.955 CA :: 60.653 CB :: 34.284 CG1 :: 21.405 CG2 :: 20.766 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 :: 8.863 HA :: 5.267 HB :: 1.990 HG11 :: 0.925 HG12 :: 0.925 HG13 :: 0.925 HG21 :: 0.893 HG22 :: 0.893 HG23 :: 0.893 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 :: 119.527 Ave N Shift Values>> N :: 121.02(4.96) 1.L17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.33 C 0.33 L 0.22 G 0.06 K 0.03 C Shift Assignments>> C :: 173.559 CA :: 55.144 CB :: 42.948 CG :: 27.778 CD1 :: 26.343 CD2 :: 27.611 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 :: 8.961 HA :: 4.729 HB2 :: 1.825 HB3 :: 1.726 HG :: 1.513 HD11 :: 0.761 HD12 :: 0.761 HD13 :: 0.761 HD21 :: 0.812 HD22 :: 0.812 HD23 :: 0.812 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 :: 124.280 Ave N Shift Values>> N :: 121.98(4.07) 1.R18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.44 C 0.33 K 0.16 G 0.04 C Shift Assignments>> C :: 175.347 CA :: 54.793 CB :: 31.347 CG :: 26.994 CD :: 42.960 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 :: 8.305 HA :: 5.139 HB2 :: 1.632 HB3 :: 1.632 HG2 :: 1.445 HG3 :: 1.351 HD2 :: 3.073 HD3 :: 3.010 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 122.020 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.L19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.49 L 0.31 C 0.16 A 0.01 C Shift Assignments>> C :: 175.957 CA :: 53.581 CB :: 45.697 CG :: 26.353 CD1 :: 24.162 CD2 :: 23.763 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 :: 8.676 HA :: 4.482 HB2 :: 1.259 HB3 :: 1.181 HG :: 1.041 HD11 :: 0.282 HD12 :: 0.282 HD13 :: 0.282 HD21 :: 0.361 HD22 :: 0.361 HD23 :: 0.361 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 :: 126.378 Ave N Shift Values>> N :: 121.98(4.07) 1.D20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.18 C 0.18 N 0.17 Y 0.17 F 0.15 L 0.07 I 0.02 E 0.01 C Shift Assignments>> C :: 175.947 CA :: 55.263 CB :: 39.239 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 :: 9.390 HA :: 4.287 HB2 :: 2.953 HB3 :: 2.827 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 125.208 Ave N Shift Values>> N :: 120.73(4.2) 1.G21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 C 0.08 L 0.08 R 0.02 C Shift Assignments>> C :: 173.164 CA :: 45.499 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.563 HA2 :: 4.126 HA3 :: 3.509 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 103.331 Ave N Shift Values>> N :: 109.91(4.29) 1.E22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 M 0.34 E 0.15 Q 0.03 C Shift Assignments>> C :: 174.800 CA :: 54.329 CB :: 32.832 CG :: 35.631 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 :: 7.713 HA :: 4.634 HB2 :: 1.841 HB3 :: 1.841 HG2 :: 2.248 HG3 :: 2.248 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 :: 119.470 Ave N Shift Values>> N :: 120.68(3.68) 1.D23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.21 D 0.2 K 0.17 C 0.1 F 0.09 Y 0.07 R 0.06 N 0.04 C Shift Assignments>> C :: 175.533 CA :: 55.180 CB :: 41.504 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 :: 8.632 HA :: 4.872 HB2 :: 2.537 HB3 :: 2.537 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 :: 122.815 Ave N Shift Values>> N :: 120.73(4.2) 1.L24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.38 G 0.34 C 0.21 R 0.05 C Shift Assignments>> C :: 174.322 CA :: 54.473 CB :: 44.718 CG :: 27.514 CD1 :: 25.314 CD2 :: 25.115 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 :: 9.248 HA :: 4.836 HB2 :: 1.553 HB3 :: 1.507 HG :: 1.028 HD11 :: 0.841 HD12 :: 0.841 HD13 :: 0.841 HD21 :: 0.774 HD22 :: 0.774 HD23 :: 0.774 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 125.550 Ave N Shift Values>> N :: 121.98(4.07) 1.R25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.38 C 0.31 K 0.25 G 0.04 HN Overlap>> 1.H80 1.H80 C Shift Assignments>> C :: 175.174 CA :: 54.745 CB :: 31.701 CG :: 28.219 CD :: 43.028 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 :: 8.503 HA :: 5.228 HB2 :: 1.914 HB3 :: 1.759 HG2 :: 1.474 HG3 :: 1.365 HD2 :: 3.160 HD3 :: 3.128 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 125.424 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.V26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.62 C 0.37 C Shift Assignments>> C :: 174.446 CA :: 61.055 CB :: 33.780 CG1 :: 21.147 CG2 :: 21.242 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 9.692 HA :: 5.091 HB :: 2.300 HG11 :: 0.943 HG12 :: 0.943 HG13 :: 0.943 HG21 :: 0.881 HG22 :: 0.881 HG23 :: 0.881 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 :: 130.649 Ave N Shift Values>> N :: 121.02(4.96) 1.V27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 V 0.41 C Shift Assignments>> C :: 174.214 CA :: 60.722 CB :: 36.082 CG1 :: 21.215 CG2 :: 20.549 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 9.401 HA :: 5.188 HB :: 1.971 HG11 :: 0.834 HG12 :: 0.834 HG13 :: 0.834 HG21 :: 0.931 HG22 :: 0.931 HG23 :: 0.931 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 :: 127.416 Ave N Shift Values>> N :: 121.02(4.96) 1.L28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 G 0.27 A 0.2 L 0.03 C Shift Assignments>> C :: 175.915 CA :: 52.599 CB :: 47.495 CG :: 27.257 CD1 :: 22.897 CD2 :: 27.381 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 :: 9.265 HA :: 5.337 HB2 :: 1.913 HB3 :: 1.491 HG :: 1.025 HD11 :: 0.802 HD12 :: 0.802 HD13 :: 0.802 HD21 :: 0.567 HD22 :: 0.567 HD23 :: 0.567 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 127.527 Ave N Shift Values>> N :: 121.98(4.07) 1.E29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 E 0.39 M 0.07 K 0.06 I 0.04 Q 0.01 C Shift Assignments>> C :: 176.715 CA :: 55.342 CB :: 30.005 CG :: 36.840 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 :: 8.968 HA :: 4.701 HB2 :: 2.376 HB3 :: 2.183 HG2 :: 2.349 HG3 :: 2.217 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 :: 127.374 Ave N Shift Values>> N :: 120.68(3.68) 1.K30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 R 0.28 K 0.28 G 0.01 C Shift Assignments>> C :: 177.137 CA :: 60.118 CB :: 32.656 CG :: 26.820 CD :: 29.227 CE :: 42.063 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 :: 8.243 HA :: 3.711 HB2 :: 1.832 HB3 :: 1.673 HG2 :: 1.184 HG3 :: 0.904 HD2 :: 1.626 HD3 :: 1.564 HE2 :: 2.774 HE3 :: 2.744 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 124.225 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.D31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.21 Y 0.19 C 0.16 D 0.14 L 0.11 K 0.07 N 0.04 I 0.03 C Shift Assignments>> C :: 177.774 CA :: 56.703 CB :: 40.236 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 :: 9.200 HA :: 4.444 HB2 :: 2.730 HB3 :: 2.730 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 115.955 Ave N Shift Values>> N :: 120.73(4.2) 1.T32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.89 C 0.1 C Shift Assignments>> C :: 175.320 CA :: 61.171 CB :: 70.221 CG2 :: 22.039 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 :: 7.352 HA :: 4.266 HB :: 4.286 HG21 :: 1.176 HG22 :: 1.176 HG23 :: 1.176 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 106.440 Ave N Shift Values>> N :: 115.7(5.05) 1.M33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.81 A 0.14 M 0.03 C Shift Assignments>> C :: 174.952 CA :: 55.195 CB :: 25.900 CG :: 32.359 CE :: 15.712 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 :: 8.216 HA :: 4.184 HB2 :: 2.279 HB3 :: 2.219 HG2 :: 2.719 HG3 :: 2.382 HE1 :: 1.880 HE2 :: 1.880 HE3 :: 1.880 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 :: 115.956 Ave N Shift Values>> N :: 120.1(3.88) 1.D34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.29 R 0.21 D 0.14 K 0.11 C 0.1 F 0.05 Y 0.03 G 0.02 N 0.01 C Shift Assignments>> C :: 174.375 CA :: 54.745 CB :: 42.865 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 7.509 HA :: 4.486 HB2 :: 2.528 HB3 :: 1.961 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 :: 118.500 Ave N Shift Values>> N :: 120.73(4.2) 1.V35 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> V 0.54 C 0.44 C Shift Assignments>> C :: 173.900 CA :: 60.736 CB :: 34.662 CG1 :: 22.095 CG2 :: 20.560 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 :: 8.473 HA :: 4.709 HB :: 1.031 HG11 :: -0.166(S) HG12 :: -0.166(S) HG13 :: -0.166(S) HG21 :: 0.555 HG22 :: 0.555 HG23 :: 0.555 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 121.116 Ave N Shift Values>> N :: 121.02(4.96) 1.W36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.51 C 0.47 H 0.01 C Shift Assignments>> C :: 176.480 CA :: 55.070 CB :: 32.179 CG :: 112.059 CD1 :: 126.038 CE2 :: 138.891 CE3 :: 120.293 CZ2 :: 114.207 CZ3 :: 122.320 CH2 :: 124.663 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 9.404 HA :: 5.174 HB2 :: 3.032 HB3 :: 2.784 HD1 :: 6.841 HE1 :: 10.439 HE3 :: 7.163 HZ2 :: 7.467 HZ3 :: 6.994 HH2 :: 7.204 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 :: 126.924 NE1 :: 130.433 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.C37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.15 Q 0.15 H 0.12 W 0.12 E 0.11 C 0.11 R 0.1 L 0.03 I 0.03 M 0.02 C Shift Assignments>> C :: 175.346 CA :: 57.083 CB :: 28.713 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 9.230 HA :: 5.417 HB2 :: 3.013 HB3 :: 2.778 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 120.375 Ave N Shift Values>> N :: 119.95(4.79) 1.N38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 N 0.25 E 0.14 M 0.08 Y 0.08 F 0.04 K 0.03 D 0.02 C Shift Assignments>> C :: 175.526 CA :: 54.023 CB :: 36.581 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 :: 9.817 HA :: 4.637 HB2 :: 2.979 HB3 :: 3.348 HD21 :: 7.387 HD22 :: 7.919 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 :: 129.408 ND2 :: 112.072 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.G39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.08 L 0.07 R 0.02 C Shift Assignments>> C :: 173.405 CA :: 45.595 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.092 HA2 :: 4.241 HA3 :: 3.705 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 102.752 Ave N Shift Values>> N :: 109.91(4.29) 1.Q40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.26 Q 0.25 M 0.23 K 0.15 E 0.06 R 0.02 C Shift Assignments>> C :: 174.477 CA :: 53.747 CB :: 30.413 CG :: 33.510 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 :: 8.006 HA :: 4.736 HB2 :: 2.175 HB3 :: 2.070 HG2 :: 2.365 HG3 :: 2.365 HE21 :: 6.936 HE22 :: 7.592 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 120.627 NE2 :: 112.341 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.K41 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.35 C 0.33 R 0.28 M 0.01 C Shift Assignments>> C :: 176.870 CA :: 57.136 CB :: 31.669 CG :: 25.049 CD :: 28.528 CE :: 42.136 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 :: 8.757 HA :: 3.464 HB2 :: 1.317 HB3 :: 0.604(S) HG2 :: 0.164(S) HG3 :: 0.834 HD2 :: 1.274 HD3 :: 1.225 HE2 :: 2.694 HE3 :: 2.537 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 :: 129.107 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.M42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.46 M 0.33 C 0.2 C Shift Assignments>> C :: 176.816 CA :: 52.958 CB :: 33.023 CG :: 32.779 CE :: 18.354 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 :: 8.682 HA :: 4.712 HB2 :: 2.270 HB3 :: 2.018 HG2 :: 1.666 HG3 :: 1.354 HE1 :: 2.200 HE2 :: 2.200 HE3 :: 2.200 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 :: 126.569 Ave N Shift Values>> N :: 120.1(3.88) 1.E43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.35 C 0.33 K 0.11 Q 0.06 M 0.06 I 0.05 C Shift Assignments>> C :: 176.531 CA :: 56.475 CB :: 29.604 CG :: 36.145 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 :: 8.734 HA :: 4.419 HB2 :: 1.987 HB3 :: 2.058 HG2 :: 2.339 HG3 :: 2.243 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 123.734 Ave N Shift Values>> N :: 120.68(3.68) 1.T44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.64 C 0.34 A 0.01 C Shift Assignments>> C :: 174.205 CA :: 59.160 CB :: 72.419 CG2 :: 21.296 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 :: 8.263 HA :: 5.385 HB :: 4.184 HG21 :: 0.892 HG22 :: 0.892 HG23 :: 0.892 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 :: 115.081 Ave N Shift Values>> N :: 115.7(5.05) 1.A45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.63 M 0.15 L 0.12 C 0.08 C Shift Assignments>> C :: 177.017 CA :: 51.645 CB :: 21.364 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.727 HA :: 4.749 HB1 :: 1.385 HB2 :: 1.385 HB3 :: 1.385 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.243 Ave N Shift Values>> N :: 123.23(3.7) 1.G46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.7 L 0.12 C 0.08 R 0.06 F 0.01 C Shift Assignments>> C :: 173.528 CA :: 45.060 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.818 HA2 :: 4.941 HA3 :: 3.690 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 112.392 Ave N Shift Values>> N :: 109.91(4.29) 1.E47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 M 0.34 E 0.16 Q 0.04 C Shift Assignments>> C :: 175.223 CA :: 55.008 CB :: 32.939 CG :: 35.453 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 :: 8.746 HA :: 4.584 HB2 :: 1.805 HB3 :: 1.990 HG2 :: 2.076 HG3 :: 2.076 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 122.107 Ave N Shift Values>> N :: 120.68(3.68) 1.F48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.51 C 0.47 HN Overlap>> 1.N61 1.N61 C Shift Assignments>> C :: 175.499 CA :: 58.320 CB :: 39.175 CG :: 139.400 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 :: 8.920 HA :: 4.822 HB2 :: 3.186 HB3 :: 2.986 HD1 :: 7.328 HD2 :: 7.328 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 :: 124.006 Ave N Shift Values>> N :: 120.69(4.18) 1.V49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 V 0.48 C Shift Assignments>> C :: 176.241 CA :: 60.328 CB :: 34.542 CG1 :: 21.652 CG2 :: 19.663 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 :: 8.161 HA :: 4.492 HB :: 2.180 HG11 :: 0.811 HG12 :: 0.811 HG13 :: 0.811 HG21 :: 0.721 HG22 :: 0.721 HG23 :: 0.721 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 :: 120.063 Ave N Shift Values>> N :: 121.02(4.96) 1.D50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.22 Y 0.19 C 0.16 L 0.11 D 0.11 K 0.1 I 0.04 N 0.02 R 0.01 C Shift Assignments>> C :: 176.567 CA :: 57.149 CB :: 40.477 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 :: 8.596 HA :: 4.278 HB2 :: 2.676 HB3 :: 2.644 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 :: 122.137 Ave N Shift Values>> N :: 120.73(4.2) 1.D51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 N 0.24 C 0.12 L 0.12 F 0.07 Y 0.07 K 0.03 C Shift Assignments>> C :: 175.798 CA :: 53.458 CB :: 40.306 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 :: 8.328 HA :: 4.656 HB2 :: 2.707 HB3 :: 2.888 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 :: 116.158 Ave N Shift Values>> N :: 120.73(4.2) 1.G52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 C 0.09 L 0.06 R 0.01 C Shift Assignments>> C :: 173.149 CA :: 45.860 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.653 HA2 :: 4.685 HA3 :: 4.069 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.634 Ave N Shift Values>> N :: 109.91(4.29) 1.T53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.79 C 0.2 C Shift Assignments>> C :: 174.163 CA :: 60.974 CB :: 72.266 CG2 :: 21.967 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 :: 8.445 HA :: 4.996 HB :: 4.117 HG21 :: 1.083 HG22 :: 1.083 HG23 :: 1.083 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 :: 114.976 Ave N Shift Values>> N :: 115.7(5.05) 1.E54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 M 0.25 E 0.16 C Shift Assignments>> C :: 175.700 CA :: 54.731 CB :: 33.250 CG :: 36.359 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 :: 8.917 HA :: 5.205 HB2 :: 1.958 HB3 :: 1.446 HG2 :: 2.257 HG3 :: 1.989 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 121.295 Ave N Shift Values>> N :: 120.68(3.68) 1.T55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.95 C 0.04 C Shift Assignments>> C :: 174.537 CA :: 62.678 CB :: 69.744 CG2 :: 21.266 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 :: 9.190 HA :: 4.744 HB :: 3.968 HG21 :: 1.185 HG22 :: 1.185 HG23 :: 1.185 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 :: 122.419 Ave N Shift Values>> N :: 115.7(5.05) 1.H56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.4 C 0.33 W 0.25 C Shift Assignments>> C :: 174.675 CA :: 55.557 CB :: 31.279 CD2 :: 118.351 CE1 :: 136.496 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 9.395 HA :: 5.204 HB2 :: 3.360 HB3 :: 3.279 HD2 :: 6.842 HE1 :: 7.892 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 125.732 ND1 :: 184.527 NE2 :: 176.107 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.F57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.37 Y 0.36 C 0.26 C Shift Assignments>> C :: 172.293 CA :: 56.366 CB :: 39.962 CZ :: 129.155 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 :: 8.790 HA :: 4.918 HB2 :: 3.236 HB3 :: 2.945 HD1 :: 6.801 HD2 :: 6.801 HZ :: 6.645 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 :: 117.009 Ave N Shift Values>> N :: 120.69(4.18) 1.S58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.97 T 0.02 HN Overlap>> 1.Y65 1.Y65 C Shift Assignments>> C :: 173.716 CA :: 57.517 CB :: 65.448 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.890 HA :: 5.286 HB2 :: 3.848 HB3 :: 3.686 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 :: 115.269 Ave N Shift Values>> N :: 116.3(3.95) 1.V59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.68 C 0.31 C Shift Assignments>> C :: 176.234 CA :: 61.741 CB :: 33.711 CG1 :: 21.655 CG2 :: 21.024 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 :: 7.737 HA :: 4.220 HB :: 1.778 HG11 :: 1.030 HG12 :: 1.030 HG13 :: 1.030 HG21 :: 0.923 HG22 :: 0.923 HG23 :: 0.923 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 123.186 Ave N Shift Values>> N :: 121.02(4.96) 1.G60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.73 C 0.19 L 0.03 A 0.01 C Shift Assignments>> C :: 175.182 CA :: 47.141 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.945 HA2 :: 4.027 HA3 :: 3.692 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 116.908 Ave N Shift Values>> N :: 109.91(4.29) 1.N61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.5 C 0.19 D 0.1 Y 0.07 F 0.04 E 0.02 M 0.01 L 0.01 HN Overlap>> 1.F48 1.F48 C Shift Assignments>> C :: 174.706 CA :: 52.802 CB :: 37.917 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 :: 8.929 HA :: 4.718 HB2 :: 2.759 HB3 :: 2.519 HD21 :: 6.756 HD22 :: 7.432 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 :: 123.976 ND2 :: 111.966 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.H62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.58 C 0.36 W 0.05 HN Overlap>> 1.S71 1.I66 1.S71 1.I66 C Shift Assignments>> C :: 173.871 CA :: 55.374 CB :: 28.655 CG :: 131.125 CD2 :: 122.060 CE1 :: 136.085 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 :: 8.400 HA :: 4.762 HB2 :: 3.374 HB3 :: 2.774 HD2 :: 7.431 HE1 :: 8.556 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 :: 118.620 ND1 :: 183.318 NE2 :: 177.685 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.D63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.25 D 0.21 K 0.15 R 0.11 C 0.1 F 0.06 Y 0.04 N 0.04 C Shift Assignments>> C :: 175.269 CA :: 54.390 CB :: 42.105 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 :: 8.734 HA :: 4.785 HB2 :: 2.814 HB3 :: 2.695 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 125.336 Ave N Shift Values>> N :: 120.73(4.2) 1.C64 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> H 0.16 Q 0.13 R 0.13 C 0.12 W 0.12 E 0.11 K 0.1 M 0.07 C Shift Assignments>> C :: 173.740 CA :: 55.423 CB :: 29.972 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.225 HA :: 5.118 HB2 :: 1.573 HB3 :: 1.134(S) Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 124.476 Ave N Shift Values>> N :: 119.95(4.79) 1.Y65 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> Y 0.57 C 0.42 HN Overlap>> 1.S58 1.S58 C Shift Assignments>> C :: 172.821 CA :: 56.347 CB :: 38.901 CG :: 128.946 CD1 :: 132.825 CE1 :: 118.111 CZ :: 156.913 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 :: 8.916 HA :: 5.121 HB2 :: 1.971 HB3 :: 1.683(S) HD1 :: 6.311 HD2 :: 6.311 HE1 :: 6.566 HE2 :: 6.566 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 115.313 Ave N Shift Values>> N :: 120.79(4.69) 1.I66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.48 C 0.45 A 0.04 HN Overlap>> 1.H62 1.S71 1.H62 1.S71 C Shift Assignments>> C :: 176.225 CA :: 57.798 CB :: 39.863 CG1 :: 28.237 CG2 :: 18.252 CD1 :: 14.055 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 :: 8.423 HA :: 5.000 HB :: 1.631 HG12 :: 1.401 HG13 :: 0.868 HG21 :: 0.952 HG22 :: 0.952 HG23 :: 0.952 HD11 :: 0.630 HD12 :: 0.630 HD13 :: 0.630 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 118.575 Ave N Shift Values>> N :: 121.6(4.72) 1.K67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 K 0.37 R 0.2 M 0.02 C Shift Assignments>> C :: 174.079 CA :: 54.728 CB :: 35.256 CG :: 25.260 CD :: 29.682 CE :: 41.772 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 :: 9.480 HA :: 5.091 HB2 :: 2.010 HB3 :: 1.571 HG2 :: 1.387 HG3 :: 1.369 HD2 :: 1.757 HD3 :: 1.640 HE2 :: 2.854 HE3 :: 2.799 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 :: 132.311 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.A68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.82 M 0.09 C 0.04 L 0.02 HN Overlap>> 1.I89 1.I89 C Shift Assignments>> C :: 176.587 CA :: 50.484 CB :: 20.570 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.844 HA :: 5.039 HB1 :: 1.243 HB2 :: 1.243 HB3 :: 1.243 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 129.958 Ave N Shift Values>> N :: 123.23(3.7) 1.V69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.56 C 0.42 C Shift Assignments>> C :: 175.331 CA :: 60.758 CB :: 34.743 CG1 :: 21.626 CG2 :: 21.047 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 :: 8.461 HA :: 4.558 HB :: 2.052 HG11 :: 0.945 HG12 :: 0.945 HG13 :: 0.945 HG21 :: 0.886 HG22 :: 0.886 HG23 :: 0.886 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 121.496 Ave N Shift Values>> N :: 121.02(4.96) 1.S70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.690 CA :: 58.065 CB :: 64.062 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.695 HA :: 4.646 HB2 :: 3.877 HB3 :: 3.791 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 :: 119.763 Ave N Shift Values>> N :: 116.3(3.95) 1.S71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.H62 1.H62 1.I66 1.I66 C Shift Assignments>> CA :: 58.491 CB :: 64.061 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.360 HA :: 4.430 HB2 :: 3.878 HB3 :: 3.730 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 118.577 Ave N Shift Values>> N :: 116.3(3.95) 1.G72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 C 0.08 L 0.07 R 0.02 C Shift Assignments>> CA :: 45.565 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.542 HA2 :: 4.002 HA3 :: 4.002 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.540 Ave N Shift Values>> N :: 109.91(4.29) 1.K73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.39 C 0.38 R 0.2 G 0.01 C Shift Assignments>> CA :: 56.720 CB :: 32.915 CD :: 29.220 CE :: 42.423 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 :: 8.369 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 :: 120.293 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.R74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.25 R 0.25 K 0.13 C 0.11 D 0.08 F 0.07 Y 0.05 G 0.02 C Shift Assignments>> CA :: 56.148 CD :: 42.898 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 :: 8.181 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 :: 119.343 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.K75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.37 C 0.35 R 0.23 M 0.03 C Shift Assignments>> C :: 176.868 CA :: 57.711 CB :: 31.777 CG :: 24.979 CD :: 29.245 CE :: 42.134 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 :: 8.443 HA :: 4.067 HB2 :: 1.860 HB3 :: 1.860 HG2 :: 1.436 HG3 :: 1.391 HD2 :: 1.870 HD3 :: 1.677 HE2 :: 2.987 HE3 :: 2.987 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 :: 120.467 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.E76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.36 I 0.09 K 0.07 M 0.05 Q 0.02 C Shift Assignments>> C :: 176.844 CA :: 57.294 CB :: 29.794 CG :: 36.595 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 :: 8.693 HA :: 4.290 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 118.767 Ave N Shift Values>> N :: 120.68(3.68) 1.G77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.78 L 0.08 C 0.07 R 0.03 C Shift Assignments>> C :: 173.512 CA :: 45.362 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.168 HA2 :: 4.010 HA3 :: 3.963 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.621 Ave N Shift Values>> N :: 109.91(4.29) 1.I78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.68 C 0.31 C Shift Assignments>> C :: 175.402 CA :: 60.632 CB :: 39.759 CG1 :: 27.699 CG2 :: 17.505 CD1 :: 12.883 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.954 HA :: 4.323 HB :: 1.630 HG12 :: 0.988 HG13 :: 1.450 HG21 :: 0.437 HG22 :: 0.437 HG23 :: 0.437 HD11 :: 0.792 HD12 :: 0.792 HD13 :: 0.792 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 121.604 Ave N Shift Values>> N :: 121.6(4.72) 1.I79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.65 C 0.34 C Shift Assignments>> C :: 175.172 CA :: 60.027 CB :: 40.153 CG1 :: 27.298 CG2 :: 17.592 CD1 :: 13.220 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 :: 8.514 HA :: 4.341 HB :: 1.750 HG12 :: 1.113 HG13 :: 1.480 HG21 :: 0.891 HG22 :: 0.891 HG23 :: 0.891 HD11 :: 0.848 HD12 :: 0.848 HD13 :: 0.848 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 :: 127.137 Ave N Shift Values>> N :: 121.6(4.72) 1.H80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 H 0.28 W 0.18 HN Overlap>> 1.R25 1.R25 C Shift Assignments>> C :: 175.502 CA :: 57.043 CB :: 32.741 CD2 :: 116.121 CE1 :: 137.736 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 :: 8.492 HA :: 5.676 HB2 :: 3.016 HB3 :: 2.882 HD2 :: 6.650 HE1 :: 7.619 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 125.422 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.T81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.7 C 0.28 C Shift Assignments>> C :: 171.877 CA :: 59.924 CB :: 72.243 CG2 :: 21.933 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 :: 9.080 HA :: 4.999 HB :: 3.944 HG21 :: 1.171 HG22 :: 1.171 HG23 :: 1.171 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 117.682 Ave N Shift Values>> N :: 115.7(5.05) 1.L82 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.45 L 0.45 A 0.08 C Shift Assignments>> C :: 172.705 CA :: 53.553 CB :: 39.768 CG :: 27.002 CD1 :: 23.173 CD2 :: 26.409 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 :: 8.062 HA :: 4.350 HB2 :: 0.380(S) HB3 :: -1.062(S) HG :: 0.744 HD11 :: 0.248 HD12 :: 0.248 HD13 :: 0.248 HD21 :: 0.135 HD22 :: 0.135 HD23 :: 0.135 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 125.369 Ave N Shift Values>> N :: 121.98(4.07) 1.I83 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.49 I 0.47 A 0.01 C Shift Assignments>> C :: 175.159 CA :: 58.529 CB :: 37.410 CG1 :: 28.136 CG2 :: 17.921 CD1 :: 11.944 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 :: 8.657 HA :: 4.476 HB :: 0.317(S) HG12 :: 0.871 HG13 :: 0.763 HG21 :: 0.391 HG22 :: 0.391 HG23 :: 0.391 HD11 :: 0.481 HD12 :: 0.481 HD13 :: 0.481 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 :: 128.042 Ave N Shift Values>> N :: 121.6(4.72) 1.V84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.56 C 0.43 C Shift Assignments>> C :: 176.138 CA :: 61.029 CB :: 34.714 CG1 :: 20.458 CG2 :: 20.385 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 :: 8.464 HA :: 4.284 HB :: 1.668 HG11 :: 0.694 HG12 :: 0.694 HG13 :: 0.694 HG21 :: 0.615 HG22 :: 0.615 HG23 :: 0.615 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 124.644 Ave N Shift Values>> N :: 121.02(4.96) 1.D85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.21 C 0.2 F 0.17 D 0.13 N 0.13 L 0.05 E 0.03 I 0.03 C Shift Assignments>> C :: 175.489 CA :: 55.868 CB :: 38.927 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 :: 9.158 HA :: 4.362 HB2 :: 2.805 HB3 :: 2.903 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 :: 129.061 Ave N Shift Values>> N :: 120.73(4.2) 1.N86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.23 N 0.22 Y 0.17 F 0.12 D 0.1 E 0.07 L 0.02 I 0.02 M 0.01 C Shift Assignments>> C :: 173.802 CA :: 55.173 CB :: 38.150 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 :: 8.811 HA :: 4.053 HB2 :: 3.035 HB3 :: 2.985 HD21 :: 6.934 HD22 :: 7.551 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 :: 108.418 ND2 :: 112.972 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.R87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 R 0.36 K 0.14 G 0.11 C Shift Assignments>> C :: 174.025 CA :: 54.846 CB :: 32.697 CG :: 27.309 CD :: 43.554 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 :: 7.914 HA :: 4.597 HB2 :: 1.793 HB3 :: 1.793 HG2 :: 1.668 HG3 :: 1.597 HD2 :: 3.247 HD3 :: 3.214 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 120.988 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.E88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.39 C 0.37 M 0.09 K 0.05 I 0.04 Q 0.02 C Shift Assignments>> C :: 176.187 CA :: 56.044 CB :: 30.329 CG :: 36.721 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 :: 8.534 HA :: 4.560 HB2 :: 1.841 HB3 :: 1.841 HG2 :: 2.152 HG3 :: 1.980 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 123.982 Ave N Shift Values>> N :: 120.68(3.68) 1.I89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.58 A 0.34 I 0.06 HN Overlap>> 1.A68 1.A68 C Shift Assignments>> C :: 174.110 CA :: 55.255 CB :: 37.851 CG1 :: 26.509 CG2 :: 17.322 CD1 :: 9.408 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 :: 8.897 HA :: 4.666 HB :: 1.955 HG12 :: 1.610 HG13 :: 1.031 HG21 :: 1.181 HG22 :: 1.181 HG23 :: 1.181 HD11 :: 0.667 HD12 :: 0.667 HD13 :: 0.667 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 :: 130.008 Ave N Shift Values>> N :: 121.6(4.72) 1.P90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.79 C 0.2 C Shift Assignments>> C :: 176.956 CA :: 63.159 CB :: 32.428 CG :: 27.618 CD :: 51.047 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 :: 4.713 HB2 :: 2.394 HB3 :: 2.027 HG2 :: 2.239 HG3 :: 2.108 HD2 :: 3.998 HD3 :: 3.910 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.E91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.34 C 0.33 M 0.13 K 0.07 Q 0.06 I 0.03 C Shift Assignments>> C :: 176.426 CA :: 56.738 CB :: 30.540 CG :: 35.992 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 :: 8.778 HA :: 3.910 HB2 :: 1.949 HB3 :: 1.760 HG2 :: 1.946 HG3 :: 1.760 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 :: 124.561 Ave N Shift Values>> N :: 120.68(3.68) 1.L92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.56 C 0.28 R 0.11 G 0.02 C Shift Assignments>> C :: 177.162 CA :: 55.350 CB :: 42.390 CG :: 27.463 CD1 :: 25.102 CD2 :: 24.101 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 :: 8.630 HA :: 4.419 HB2 :: 1.598 HB3 :: 1.424 HG :: 1.487 HD11 :: 0.921 HD12 :: 0.921 HD13 :: 0.921 HD21 :: 0.863 HD22 :: 0.863 HD23 :: 0.863 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 :: 126.683 Ave N Shift Values>> N :: 121.98(4.07) 1.T93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.92 C 0.07 C Shift Assignments>> C :: 173.589 CA :: 61.621 CB :: 69.724 CG2 :: 21.286 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 :: 8.375 HA :: 4.359 HB :: 4.246 HG21 :: 1.163 HG22 :: 1.163 HG23 :: 1.163 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 :: 119.699 Ave N Shift Values>> N :: 115.7(5.05) 1.Q94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.26 Q 0.21 E 0.18 M 0.17 K 0.13 R 0.01 I 0.01 C Shift Assignments>> C :: 180.309 CA :: 57.213 CB :: 30.610 CG :: 34.264 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 7.922 HA :: 4.174 HB2 :: 1.900 HB3 :: 2.079 HG2 :: 2.240 HG3 :: 2.240 HE21 :: 6.783 HE22 :: 7.547 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 127.258 NE2 :: 112.068 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) ########################################################################### Overall Results: #Consistent: 87 #Clerical: 0 #Suspicious: 7 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 86 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 8 Shift Relative Order (SRO) Results: #Consistent: 94 #Suspicious: 0 C Shift Results: #Consistent: 364 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 548 #Duplicate: 0 #Unknown: 0 #Suspicious: 11 #Anomalous: 0 N Shift Results: #Consistent: 96 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.S13 HB3 = 2.749(S), Expected = 3.87, Std = 0.3100, ChiSquare = 2.9904e-04 1.V35 HG11 = -0.166(S), Expected = 0.84, Std = 0.2700, ChiSquare = 1.9460e-04 1.V35 HG12 = -0.166(S), Expected = 0.84, Std = 0.2700, ChiSquare = 1.9460e-04 1.V35 HG13 = -0.166(S), Expected = 0.84, Std = 0.2700, ChiSquare = 1.9460e-04 1.K41 HB3 = 0.604(S), Expected = 1.78, Std = 0.2600, ChiSquare = 6.0947e-06 1.K41 HG2 = 0.164(S), Expected = 1.38, Std = 0.2700, ChiSquare = 6.6779e-06 1.C64 HB3 = 1.134(S), Expected = 2.98, Std = 0.4500, ChiSquare = 4.0920e-05 1.Y65 HB3 = 1.683(S), Expected = 2.91, Std = 0.3700, ChiSquare = 9.1245e-04 1.L82 HB2 = 0.380(S), Expected = 1.63, Std = 0.3400, ChiSquare = 2.3648e-04 1.L82 HB3 = -1.062(S), Expected = 1.57, Std = 0.3600, ChiSquare = 2.6494e-13 1.I83 HB = 0.317(S), Expected = 1.80, Std = 0.3100, ChiSquare = 1.7195e-06