Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 173.771 CA :: 58.270 CB :: 64.336 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> HA :: 4.464 HB2 :: 3.857 HB3 :: 3.857 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) 1.G4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.12 L 0.05 C Shift Assignments>> C :: 178.968 CA :: 46.325 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.995 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 116.615 Ave N Shift Values>> N :: 109.91(4.29) 1.S5 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 175.026 CA :: 58.664 CB :: 63.747 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> HA :: 4.485 HB2 :: 3.889 HB3 :: 3.889 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) 1.G7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.77 L 0.09 C 0.07 R 0.03 C Shift Assignments>> C :: 174.054 CA :: 45.301 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.372 HA2 :: 3.926 HA3 :: 3.926 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.605 Ave N Shift Values>> N :: 109.91(4.29) 1.E8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.34 C 0.32 M 0.1 K 0.1 Q 0.07 I 0.04 C Shift Assignments>> C :: 176.074 CA :: 56.653 CB :: 30.153 CG :: 35.966 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 :: 8.222 HA :: 4.158 HB2 :: 1.825 HB3 :: 1.786 HG2 :: 2.053 HG3 :: 1.972 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 :: 120.627 Ave N Shift Values>> N :: 120.68(3.68) 1.F9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.57 C 0.42 HN Overlap>> 1.K56 1.K56 1.D65 1.D65 C Shift Assignments>> C :: 175.064 CA :: 57.173 CB :: 39.706 CD1 :: 131.660 CD2 :: 131.660 CE1 :: 131.660 CE2 :: 131.660 CZ :: 129.848 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 :: 8.169 HA :: 4.607 HB2 :: 3.147 HB3 :: 2.925 HD1 :: 7.206 HD2 :: 7.206 HE1 :: 7.284 HE2 :: 7.284 HZ :: 7.227 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 :: 120.179 Ave N Shift Values>> N :: 120.69(4.18) 1.A10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.79 M 0.16 C 0.02 C Shift Assignments>> C :: 176.972 CA :: 52.101 CB :: 19.423 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.120 HA :: 4.312 HB1 :: 1.307 HB2 :: 1.307 HB3 :: 1.307 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.758 Ave N Shift Values>> N :: 123.23(3.7) 1.I11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.66 C 0.32 C Shift Assignments>> C :: 175.751 CA :: 60.652 CB :: 39.073 CG1 :: 27.304 CG2 :: 17.436 CD1 :: 12.947 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 :: 8.105 HA :: 4.094 HB :: 1.782 HG12 :: 1.447 HG13 :: 1.161 HG21 :: 0.847 HG22 :: 0.847 HG23 :: 0.847 HD11 :: 0.847 HD12 :: 0.847 HD13 :: 0.847 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 :: 120.570 Ave N Shift Values>> N :: 121.6(4.72) 1.D12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.34 N 0.17 L 0.17 C 0.12 K 0.06 F 0.04 R 0.03 Y 0.03 C Shift Assignments>> C :: 175.126 CA :: 51.724 CB :: 41.521 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 :: 4.855 HB2 :: 2.841 HB3 :: 2.841 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 :: 126.985 Ave N Shift Values>> N :: 120.73(4.2) 1.P13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.83 C 0.16 C Shift Assignments>> C :: 176.798 CA :: 63.558 CB :: 32.134 CG :: 26.883 CD :: 50.867 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 :: 4.400 HB2 :: 2.242 HB3 :: 1.934 HG2 :: 1.934 HG3 :: 1.934 HD2 :: 3.846 HD3 :: 3.846 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.N14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.42 D 0.21 C 0.15 Y 0.07 F 0.06 L 0.04 HN Overlap>> 1.K61 1.K61 C Shift Assignments>> C :: 174.847 CA :: 53.126 CB :: 39.001 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 :: 8.539 HA :: 4.675 HB2 :: 2.801 HB3 :: 2.702 HD21 :: 7.815 HD22 :: 6.938 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 :: 117.415 ND2 :: 114.374 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.E15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 E 0.3 M 0.12 K 0.1 Q 0.09 I 0.01 C Shift Assignments>> C :: 173.939 CA :: 54.391 CB :: 30.064 CG :: 35.811 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 :: 7.851 HA :: 4.523 HB2 :: 1.964 HB3 :: 1.964 HG2 :: 2.322 HG3 :: 2.322 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 :: 122.696 Ave N Shift Values>> N :: 120.68(3.68) 1.P16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.78 C 0.21 C Shift Assignments>> C :: 175.179 CA :: 62.924 CB :: 32.134 CG :: 27.536 CD :: 50.830 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 :: 4.291 HB2 :: 2.085 HB3 :: 1.545 HG2 :: 2.040 HG3 :: 1.978 HD2 :: 3.809 HD3 :: 3.675 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.T17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.8 C 0.19 C Shift Assignments>> C :: 172.963 CA :: 59.533 CB :: 70.892 CG2 :: 21.935 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 :: 7.551 HA :: 4.111 HB :: 3.652 HG21 :: 0.954 HG22 :: 0.954 HG23 :: 0.954 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 109.079 Ave N Shift Values>> N :: 115.7(5.05) 1.Y18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.4 C 0.35 G 0.24 C Shift Assignments>> C :: 174.113 CA :: 57.098 CB :: 43.718 CD1 :: 133.337 CD2 :: 133.337 CE1 :: 118.042 CE2 :: 118.042 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 :: 8.245 HA :: 5.086 HB2 :: 3.128 HB3 :: 1.989 HD1 :: 7.106 HD2 :: 7.106 HE1 :: 6.802 HE2 :: 6.802 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 :: 118.312 Ave N Shift Values>> N :: 120.79(4.69) 1.C19 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> W 0.16 C 0.14 E 0.14 R 0.12 H 0.09 Q 0.08 I 0.07 K 0.06 V 0.04 M 0.03 C Shift Assignments>> C :: 175.346 CA :: 59.253 CB :: 30.161 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.129 HA :: 3.670 HB2 :: 4.679(A) HB3 :: 2.358 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 :: 115.669 Ave N Shift Values>> N :: 119.95(4.79) 1.L20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.46 C 0.3 R 0.18 G 0.02 C Shift Assignments>> C :: 178.117 CA :: 57.049 CB :: 42.661 CG :: 27.593 CD1 :: 25.661 CD2 :: 23.736 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 10.064 HA :: 4.403 HB2 :: 2.036 HB3 :: 1.892 HG :: 2.204 HD11 :: 1.151 HD12 :: 1.151 HD13 :: 1.151 HD21 :: 1.151 HD22 :: 1.151 HD23 :: 1.151 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 :: 127.053 Ave N Shift Values>> N :: 121.98(4.07) 1.C21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.14 R 0.14 C 0.14 E 0.13 H 0.11 M 0.09 K 0.09 Q 0.08 V 0.03 I 0.02 C Shift Assignments>> C :: 175.928 CA :: 57.912 CB :: 31.089 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.651 HA :: 4.871 HB2 :: 3.319 HB3 :: 3.177 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 :: 114.127 Ave N Shift Values>> N :: 119.95(4.79) 1.N22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.25 N 0.25 Y 0.14 E 0.11 F 0.08 D 0.06 M 0.03 I 0.01 L 0.01 K 0.01 C Shift Assignments>> C :: 173.526 CA :: 54.787 CB :: 37.526 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 :: 7.860 HA :: 4.531 HB2 :: 3.084 HB3 :: 2.777 HD21 :: 7.564 HD22 :: 6.864 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 120.974 ND2 :: 113.672 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.Q23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.43 C 0.39 Q 0.09 E 0.06 C Shift Assignments>> C :: 176.109 CA :: 54.132 CB :: 32.956 CG :: 34.149 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 :: 8.048 HA :: 4.992 HB2 :: 2.474 HB3 :: 2.301 HG2 :: 2.561 HG3 :: 2.499 HE21 :: 7.489 HE22 :: 6.861 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 116.271 NE2 :: 113.245 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.V24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 V 0.45 C Shift Assignments>> C :: 176.286 CA :: 61.489 CB :: 33.082 CG1 :: 21.529 CG2 :: 17.864 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 :: 8.184 HA :: 4.510 HB :: 2.552 HG11 :: 1.028 HG12 :: 1.028 HG13 :: 1.028 HG21 :: 0.997 HG22 :: 0.997 HG23 :: 0.997 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 :: 113.346 Ave N Shift Values>> N :: 121.02(4.96) 1.S25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.919 CA :: 59.564 CB :: 63.281 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.943 HA :: 4.037 HB2 :: 3.660 HB3 :: 3.660 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 :: 115.578 Ave N Shift Values>> N :: 116.3(3.95) 1.Y26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.55 C 0.44 C Shift Assignments>> C :: 174.565 CA :: 57.959 CB :: 39.443 CD1 :: 133.739 CD2 :: 133.739 CE1 :: 117.438 CE2 :: 117.438 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 :: 7.399 HA :: 4.598 HB2 :: 3.147 HB3 :: 2.940 HD1 :: 6.904 HD2 :: 6.904 HE1 :: 6.442 HE2 :: 6.442 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 120.154 Ave N Shift Values>> N :: 120.79(4.69) 1.G27 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 :: 173.168 CA :: 45.606 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.669 HA2 :: 3.837 HA3 :: 3.741 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.135 Ave N Shift Values>> N :: 109.91(4.29) 1.E28 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.37 E 0.31 K 0.13 I 0.08 Q 0.06 M 0.01 C Shift Assignments>> C :: 175.904 CA :: 56.584 CB :: 28.310 CG :: 36.222 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 :: 8.264 HA :: 3.984 HB2 :: 0.962(S) HB3 :: 0.501(S) HG2 :: 1.896 HG3 :: 1.746 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 :: 122.263 Ave N Shift Values>> N :: 120.68(3.68) 1.M29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.53 C 0.4 A 0.05 C Shift Assignments>> C :: 175.199 CA :: 52.818 CB :: 34.283 CG :: 31.480 CE :: 14.504 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 :: 8.313 HA :: 5.517 HB2 :: 1.729 HB3 :: 1.607 HG2 :: 2.174 HG3 :: 2.100 HE1 :: 1.047 HE2 :: 1.047 HE3 :: 1.047 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 :: 124.023 Ave N Shift Values>> N :: 120.1(3.88) 1.I30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.77 I 0.17 G 0.04 C Shift Assignments>> C :: 172.070 CA :: 58.324 CB :: 42.381 CG1 :: 28.721 CG2 :: 14.921 CD1 :: 14.956 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 :: 9.689 HA :: 4.740 HB :: 1.311 HG12 :: 1.201 HG13 :: 0.535 HG21 :: 0.097 HG22 :: 0.097 HG23 :: 0.097 HD11 :: -0.053 HD12 :: -0.053 HD13 :: -0.053 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 :: 121.932 Ave N Shift Values>> N :: 121.6(4.72) 1.G31 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.38 L 0.27 C 0.07 G 0.06 K 0.05 D 0.05 F 0.04 Y 0.02 I 0.01 C Shift Assignments>> C :: 172.751 CA :: 43.244 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.376 HA2 :: 4.757 HA3 :: 2.593(S) Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 116.293 Ave N Shift Values>> N :: 109.91(4.29) 1.C32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.22 C 0.2 W 0.11 K 0.09 R 0.07 M 0.06 E 0.05 P 0.04 H 0.04 Q 0.04 I 0.03 C Shift Assignments>> C :: 176.814 CA :: 60.206 CB :: 32.464 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.339 HA :: 4.532 HB2 :: 3.134 HB3 :: 3.065 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 125.827 Ave N Shift Values>> N :: 119.95(4.79) 1.D33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.19 Y 0.17 C 0.14 L 0.13 D 0.12 K 0.12 I 0.03 N 0.02 R 0.02 C Shift Assignments>> C :: 176.303 CA :: 56.865 CB :: 40.667 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 :: 8.943 HA :: 4.670 HB2 :: 2.518 HB3 :: 1.776 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 :: 126.721 Ave N Shift Values>> N :: 120.73(4.2) 1.N34 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> N 0.47 C 0.21 D 0.09 Y 0.07 F 0.05 E 0.03 M 0.02 L 0.01 C Shift Assignments>> C :: 176.374 CA :: 53.080 CB :: 37.772 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 :: 8.830 HA :: 4.982 HB2 :: 3.964(S) HB3 :: 2.732 HD21 :: 9.307(A) HD22 :: 6.988 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 121.709 ND2 :: 116.537 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.E35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.33 I 0.21 K 0.07 Q 0.02 M 0.01 C Shift Assignments>> C :: 177.072 CA :: 59.085 CB :: 29.182 CG :: 36.518 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 9.482 HA :: 4.114 HB2 :: 2.102 HB3 :: 2.102 HG2 :: 2.379 HG3 :: 2.379 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 :: 130.706 Ave N Shift Values>> N :: 120.68(3.68) 1.Q36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 Q 0.28 K 0.24 E 0.1 R 0.05 M 0.02 C Shift Assignments>> C :: 174.794 CA :: 54.507 CB :: 28.085 CG :: 34.347 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 :: 7.500 HA :: 4.452 HB2 :: 2.384 HB3 :: 1.832 HG2 :: 2.329 HG3 :: 2.329 HE21 :: 7.614 HE22 :: 6.843 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 114.949 NE2 :: 112.639 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.C37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.15 W 0.15 R 0.12 E 0.12 H 0.08 V 0.07 K 0.07 M 0.06 Q 0.06 I 0.04 C Shift Assignments>> C :: 176.207 CA :: 59.169 CB :: 31.075 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.628 HA :: 4.107 HB2 :: 3.485 HB3 :: 2.827 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 :: 126.364 Ave N Shift Values>> N :: 119.95(4.79) 1.P38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.76 C 0.23 C Shift Assignments>> C :: 176.634 CA :: 63.888 CB :: 32.428 CG :: 26.747 CD :: 51.590 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 :: 4.542 HB2 :: 2.327 HB3 :: 2.040 HG2 :: 2.103 HG3 :: 1.897 HD2 :: 4.369 HD3 :: 3.685 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.I39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.81 C 0.18 C Shift Assignments>> C :: 177.307 CA :: 62.975 CB :: 40.692 CG1 :: 28.644 CG2 :: 18.456 CD1 :: 13.323 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 :: 8.570 HA :: 4.143 HB :: 1.718 HG12 :: 1.487 HG13 :: 1.060 HG21 :: 0.314 HG22 :: 0.314 HG23 :: 0.314 HD11 :: 0.928 HD12 :: 0.928 HD13 :: 0.928 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 :: 124.059 Ave N Shift Values>> N :: 121.6(4.72) 1.E40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.6 C 0.27 E 0.1 C Shift Assignments>> C :: 176.074 CA :: 62.820 CB :: 29.808 CG :: 36.650 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 9.586 HA :: 3.777 HB2 :: 2.412 HB3 :: 1.959 HG2 :: 1.929 HG3 :: 1.710 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 :: 120.289 Ave N Shift Values>> N :: 120.68(3.68) 1.W41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 W 0.44 H 0.02 C Shift Assignments>> C :: 174.805 CA :: 55.947 CB :: 33.202 CD1 :: 127.232 CE3 :: 119.585 CZ2 :: 114.621 CZ3 :: 121.866 CH2 :: 124.616 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 :: 7.808 HA :: 5.357 HB2 :: 2.617 HB3 :: 2.406 HD1 :: 6.904 HE1 :: 9.932 HE3 :: 7.022 HZ2 :: 7.405 HZ3 :: 6.857 HH2 :: 7.149 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 119.883 NE1 :: 128.586 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.F42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.59 F 0.32 G 0.08 C Shift Assignments>> C :: 176.004 CA :: 56.126 CB :: 42.628 CD1 :: 132.770 CD2 :: 132.770 CE1 :: 131.648 CE2 :: 131.648 CZ :: 132.030 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 9.184 HA :: 4.832 HB2 :: 3.215 HB3 :: 2.809 HD1 :: 7.657 HD2 :: 7.657 HE1 :: 7.247 HE2 :: 7.247 HZ :: 8.001 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 :: 117.018 Ave N Shift Values>> N :: 120.69(4.18) 1.H43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.34 W 0.33 C 0.31 C Shift Assignments>> C :: 178.041 CA :: 57.957 CB :: 30.769 CD2 :: 119.048 CE1 :: 137.697 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 :: 9.423 HA :: 4.999 HB2 :: 3.946 HB3 :: 3.616 HD2 :: 6.911 HE1 :: 7.415 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 :: 122.955 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.F44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.59 F 0.4 C Shift Assignments>> C :: 178.743 CA :: 60.780 CB :: 37.745 CD1 :: 129.312 CD2 :: 129.312 CE1 :: 131.056 CE2 :: 131.056 CZ :: 128.373 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 :: 8.478 HA :: 3.935 HB2 :: 3.337 HB3 :: 3.095 HD1 :: 6.657 HD2 :: 6.657 HE1 :: 6.868 HE2 :: 6.868 HZ :: 6.914 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 :: 124.293 Ave N Shift Values>> N :: 120.69(4.18) 1.S45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 178.481 CA :: 61.372 CB :: 62.288 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.983 HA :: 4.334 HB2 :: 4.099 HB3 :: 4.060 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 :: 109.760 Ave N Shift Values>> N :: 116.3(3.95) 1.C46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.27 V 0.22 I 0.2 C 0.12 W 0.08 R 0.02 E 0.02 H 0.01 C Shift Assignments>> C :: 176.861 CA :: 62.593 CB :: 30.455 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.402 HA :: 4.316 HB2 :: 3.355 HB3 :: 3.276 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 121.851 Ave N Shift Values>> N :: 119.95(4.79) 1.V47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.76 V 0.22 C Shift Assignments>> C :: 174.219 CA :: 59.902 CB :: 31.139 CG1 :: 22.653 CG2 :: 17.864 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 :: 7.383 HA :: 4.746 HB :: 2.710 HG11 :: 0.986 HG12 :: 0.986 HG13 :: 0.986 HG21 :: 0.797 HG22 :: 0.797 HG23 :: 0.797 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 :: 107.748 Ave N Shift Values>> N :: 121.02(4.96) 1.S48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.767 CA :: 59.085 CB :: 61.045 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.714 HA :: 4.007 HB2 :: 4.104 HB3 :: 4.016 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 :: 111.948 Ave N Shift Values>> N :: 116.3(3.95) 1.L49 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.44 G 0.3 C 0.16 A 0.07 R 0.01 C Shift Assignments>> C :: 177.007 CA :: 53.430 CB :: 44.226 CG :: 25.825 CD1 :: 25.562 CD2 :: 22.745 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 :: 7.957 HA :: 4.552 HB2 :: 0.850 HB3 :: 0.538 HG :: 1.243 HD11 :: -0.280(S) HD12 :: -0.280(S) HD13 :: -0.280(S) HD21 :: 0.519 HD22 :: 0.519 HD23 :: 0.519 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 119.159 Ave N Shift Values>> N :: 121.98(4.07) 1.T50 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 :: 173.385 CA :: 62.205 CB :: 69.762 CG2 :: 21.614 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 :: 4.314 HB :: 4.111 HG21 :: 0.964 HG22 :: 0.964 HG23 :: 0.964 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 :: 112.073 Ave N Shift Values>> N :: 115.7(5.05) 1.Y51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.52 C 0.47 C Shift Assignments>> C :: 173.579 CA :: 55.839 CB :: 40.260 CD1 :: 134.142 CD2 :: 134.142 CE1 :: 117.975 CE2 :: 117.975 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 :: 7.342 HA :: 4.714 HB2 :: 3.089 HB3 :: 2.736 HD1 :: 7.020 HD2 :: 7.020 HE1 :: 6.782 HE2 :: 6.782 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 :: 118.788 Ave N Shift Values>> N :: 120.79(4.69) 1.K52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.42 C 0.32 R 0.19 M 0.03 G 0.01 C Shift Assignments>> C :: 174.162 CA :: 54.601 CB :: 33.078 CG :: 25.000 CD :: 29.500 CE :: 42.279 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 :: 8.832 HA :: 4.055 HB2 :: 1.871 HB3 :: 1.871 HG2 :: 1.558 HG3 :: 1.388 HD2 :: 1.758 HD3 :: 1.758 HE2 :: 3.088 HE3 :: 3.088 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 :: 123.734 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.P53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.77 C 0.22 C Shift Assignments>> C :: 176.246 CA :: 62.800 CB :: 32.232 CG :: 27.279 CD :: 50.830 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 :: 4.430 HB2 :: 2.293 HB3 :: 1.945 HG2 :: 1.823 HG3 :: 1.719 HD2 :: 3.589 HD3 :: 3.311 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.K54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.38 C 0.35 R 0.21 M 0.02 G 0.01 C Shift Assignments>> C :: 177.325 CA :: 56.514 CB :: 32.690 CG :: 24.970 CD :: 28.918 CE :: 42.243 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 :: 8.577 HA :: 4.318 HB2 :: 1.848 HB3 :: 1.778 HG2 :: 1.534 HG3 :: 1.479 HD2 :: 1.704 HD3 :: 1.704 HE2 :: 2.989 HE3 :: 2.989 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 121.076 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.G55 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 C Shift Assignments>> C :: 173.192 CA :: 44.219 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.134 HA2 :: 4.041 HA3 :: 3.965 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.286 Ave N Shift Values>> N :: 109.91(4.29) 1.K56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.38 C 0.36 R 0.22 M 0.01 G 0.01 HN Overlap>> 1.F9 1.F9 C Shift Assignments>> C :: 176.485 CA :: 56.006 CB :: 33.760 CG :: 25.324 CD :: 29.029 CE :: 42.342 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 :: 8.240 HA :: 4.318 HB2 :: 1.722 HB3 :: 1.391 HG2 :: 1.329 HG3 :: 1.329 HD2 :: 1.586 HD3 :: 1.586 HE2 :: 2.978 HE3 :: 2.978 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 :: 120.144 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.W57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.63 W 0.35 H 0.01 C Shift Assignments>> C :: 172.023 CA :: 58.809 CB :: 31.247 CD1 :: 126.092 CE3 :: 123.341 CZ2 :: 112.004 CZ3 :: 120.188 CH2 :: 122.805 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 :: 9.739 HA :: 4.360 HB2 :: 3.207 HB3 :: 2.724 HD1 :: 7.176 HE1 :: 9.881 HE3 :: 7.475 HZ2 :: 6.849 HZ3 :: 6.329 HH2 :: 5.887 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 :: 126.209 NE1 :: 127.970 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.Y58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.63 C 0.35 C Shift Assignments>> C :: 174.377 CA :: 54.377 CB :: 40.804 CD1 :: 133.068 CD2 :: 133.068 CE1 :: 117.524 CE2 :: 117.524 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 :: 7.168 HA :: 4.960 HB2 :: 2.316 HB3 :: 2.133 HD1 :: 6.825 HD2 :: 6.825 HE1 :: 6.455 HE2 :: 6.455 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 123.812 Ave N Shift Values>> N :: 120.79(4.69) 1.C59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.14 R 0.14 E 0.14 C 0.13 H 0.12 Q 0.1 M 0.07 K 0.07 V 0.02 I 0.02 C Shift Assignments>> C :: 173.022 CA :: 57.619 CB :: 30.653 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 9.011 HA :: 3.406 HB2 :: 2.088 HB3 :: 1.802 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 128.040 Ave N Shift Values>> N :: 119.95(4.79) 1.P60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.88 C 0.11 C Shift Assignments>> C :: 178.124 CA :: 65.268 CB :: 32.349 CG :: 28.111 CD :: 49.987 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 :: 3.935 HB2 :: 2.444 HB3 :: 1.807 HG2 :: 2.154 HG3 :: 1.982 HD2 :: 3.396 HD3 :: 3.171 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.K61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.36 C 0.35 R 0.25 M 0.01 HN Overlap>> 1.N14 1.N14 C Shift Assignments>> C :: 178.502 CA :: 57.625 CB :: 32.367 CG :: 24.773 CD :: 28.278 CE :: 42.045 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 :: 8.596 HA :: 4.241 HB2 :: 2.068 HB3 :: 1.945 HG2 :: 1.489 HG3 :: 1.489 HD2 :: 1.678 HD3 :: 1.678 HE2 :: 2.978 HE3 :: 2.978 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 :: 117.413 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.C62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.27 P 0.27 C 0.13 I 0.12 W 0.08 R 0.03 E 0.03 H 0.01 K 0.01 M 0.01 C Shift Assignments>> C :: 177.137 CA :: 62.175 CB :: 31.102 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.265 HA :: 4.018 HB2 :: 3.000 HB3 :: 2.622 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 :: 123.051 Ave N Shift Values>> N :: 119.95(4.79) 1.R63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 R 0.33 K 0.19 G 0.07 L 0.05 C Shift Assignments>> C :: 176.297 CA :: 56.814 CB :: 29.875 CG :: 25.365 CD :: 43.427 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 :: 8.097 HA :: 3.896 HB2 :: 1.714 HB3 :: 1.493 HG2 :: 1.500 HG3 :: 1.500 HD2 :: 3.118 HD3 :: 2.946 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 :: 117.108 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.G64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.77 L 0.09 C 0.07 R 0.03 C Shift Assignments>> C :: 173.978 CA :: 45.307 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.899 HA2 :: 3.803 HA3 :: 3.803 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.718 Ave N Shift Values>> N :: 109.91(4.29) 1.D65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.26 L 0.2 K 0.13 C 0.1 N 0.08 F 0.08 Y 0.06 R 0.04 HN Overlap>> 1.F9 1.F9 C Shift Assignments>> C :: 176.508 CA :: 54.338 CB :: 41.277 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 :: 8.105 HA :: 4.606 HB2 :: 2.669 HB3 :: 2.587 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 120.148 Ave N Shift Values>> N :: 120.73(4.2) 1.S66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.577 CA :: 58.449 CB :: 63.815 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.195 HA :: 4.428 HB2 :: 3.756 HB3 :: 3.756 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 :: 115.737 Ave N Shift Values>> N :: 116.3(3.95) 1.G67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.51 L 0.19 R 0.14 C 0.1 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> C :: 171.871 CA :: 44.614 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.176 HA2 :: 4.076 HA3 :: 4.076 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.420 Ave N Shift Values>> N :: 109.91(4.29) 1.P68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.81 C 0.18 C Shift Assignments>> C :: 177.209 CA :: 63.297 CB :: 32.134 CG :: 27.043 CD :: 49.744 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 :: 4.403 HB2 :: 2.218 HB3 :: 1.955 HG2 :: 1.961 HG3 :: 1.961 HD2 :: 3.616 HD3 :: 3.583 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.S69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.524 CA :: 58.398 CB :: 63.865 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.476 HA :: 4.457 HB2 :: 3.879 HB3 :: 3.879 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 :: 115.884 Ave N Shift Values>> N :: 116.3(3.95) 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 :: 173.739 CA :: 58.234 CB :: 64.280 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.273 HA :: 4.553 HB2 :: 3.896 HB3 :: 3.896 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 :: 117.812 Ave N Shift Values>> N :: 116.3(3.95) 1.G71 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.ZN1 Overall Status: Residue type ZN not supported. ########################################################################### Overall Results: #Consistent: 66 #Clerical: 0 #Suspicious: 3 #Anomalous: 2 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 67 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 4 Shift Relative Order (SRO) Results: #Consistent: 71 #Suspicious: 0 C Shift Results: #Consistent: 293 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 418 #Duplicate: 0 #Unknown: 0 #Suspicious: 7 #Anomalous: 2 N Shift Results: #Consistent: 66 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.C19 HB2 = 4.679(A), Expected = 2.95, Std = 0.4300, ChiSquare = 5.7969e-05 1.E28 HB2 = 0.962(S), Expected = 2.04, Std = 0.2200, ChiSquare = 9.5837e-07 1.E28 HB3 = 0.501(S), Expected = 2.04, Std = 0.2300, ChiSquare = 2.2119e-11 1.G31 HA3 = 2.593(S), Expected = 3.93, Std = 0.4000, ChiSquare = 8.3027e-04 1.N34 HB2 = 3.964(S), Expected = 2.80, Std = 0.3400, ChiSquare = 6.1814e-04 1.N34 HD21 = 9.307(A), Expected = 7.27, Std = 0.5200, ChiSquare = 8.9543e-05 1.L49 HD11 = -0.280(S), Expected = 0.77, Std = 0.2700, ChiSquare = 1.0070e-04 1.L49 HD12 = -0.280(S), Expected = 0.77, Std = 0.2700, ChiSquare = 1.0070e-04 1.L49 HD13 = -0.280(S), Expected = 0.77, Std = 0.2700, ChiSquare = 1.0070e-04