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: 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.S6 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 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 :: 173.827 CA :: 45.309 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.425 HA2 :: 3.991 HA3 :: 3.991 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.252 Ave N Shift Values>> N :: 109.91(4.29) 1.V8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.7 C 0.29 C Shift Assignments>> C :: 176.062 CA :: 61.873 CB :: 32.944 CG1 :: 21.168 CG2 :: 20.460 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 :: 7.951 HA :: 4.172 HB :: 2.060 HG11 :: 0.903 HG12 :: 0.903 HG13 :: 0.903 HG21 :: 0.892 HG22 :: 0.892 HG23 :: 0.892 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 :: 119.183 Ave N Shift Values>> N :: 121.02(4.96) 1.E9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 E 0.32 K 0.12 Q 0.08 M 0.08 C Shift Assignments>> C :: 174.627 CA :: 54.341 CB :: 29.591 CG :: 35.991 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 :: 8.549 HA :: 4.602 HB2 :: 2.053 HB3 :: 1.895 HG2 :: 2.305 HG3 :: 2.305 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 :: 126.678 Ave N Shift Values>> N :: 120.68(3.68) 1.P10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.82 C 0.17 C Shift Assignments>> C :: 177.587 CA :: 63.370 CB :: 32.199 CG :: 27.384 CD :: 50.733 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 :: 4.446 HB2 :: 1.952 HB3 :: 2.309 HG2 :: 2.008 HG3 :: 2.065 HD2 :: 3.841 HD3 :: 3.730 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.S11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.716 CA :: 58.267 CB :: 64.066 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.663 HA :: 4.460 HB2 :: 3.756 HB3 :: 3.949 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 116.394 Ave N Shift Values>> N :: 116.3(3.95) 1.E12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.38 C 0.36 M 0.1 K 0.09 Q 0.05 C Shift Assignments>> C :: 176.616 CA :: 56.704 CB :: 30.202 CG :: 36.210 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 :: 8.523 HA :: 4.318 HB2 :: 1.957 HB3 :: 1.957 HG2 :: 2.304 HG3 :: 2.304 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 :: 123.214 Ave N Shift Values>> N :: 120.68(3.68) 1.E13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.38 C 0.36 M 0.1 K 0.08 Q 0.05 C Shift Assignments>> C :: 176.263 CA :: 56.780 CB :: 30.271 CG :: 36.202 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 :: 8.423 HA :: 4.257 HB2 :: 1.922 HB3 :: 2.033 HG2 :: 2.255 HG3 :: 2.255 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 :: 121.877 Ave N Shift Values>> N :: 120.68(3.68) 1.N14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.4 D 0.23 C 0.14 Y 0.07 F 0.06 L 0.05 C Shift Assignments>> C :: 175.233 CA :: 53.066 CB :: 39.248 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 :: 8.393 HA :: 4.784 HB2 :: 2.858 HB3 :: 2.762 HD21 :: 6.909 HD22 :: 7.603 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 119.940 ND2 :: 112.776 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.S15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.565 CA :: 58.823 CB :: 63.602 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.365 HA :: 4.384 HB2 :: 3.858 HB3 :: 3.924 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 117.161 Ave N Shift Values>> N :: 116.3(3.95) 1.K16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.37 C 0.33 R 0.23 M 0.03 G 0.01 C Shift Assignments>> C :: 175.420 CA :: 56.202 CB :: 32.179 CG :: 24.967 CD :: 29.042 CE :: 42.231 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 :: 8.458 HA :: 4.215 HB2 :: 1.711 HB3 :: 1.877 HG2 :: 1.407 HG3 :: 1.304 HD2 :: 1.666 HD3 :: 1.666 HE2 :: 2.997 HE3 :: 2.997 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 123.097 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.D17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 L 0.2 K 0.11 N 0.11 C 0.1 F 0.06 Y 0.05 R 0.03 C Shift Assignments>> C :: 175.579 CA :: 53.619 CB :: 41.360 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 :: 8.149 HA :: 4.695 HB2 :: 2.534 HB3 :: 2.534 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 :: 119.497 Ave N Shift Values>> N :: 120.73(4.2) 1.C18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.19 V 0.17 W 0.15 R 0.1 E 0.09 K 0.07 H 0.06 M 0.06 P 0.04 Q 0.03 C Shift Assignments>> C :: 177.628 CA :: 60.110 CB :: 31.507 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.327 HA :: 3.873 HB2 :: 3.144 HB3 :: 2.602 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 :: 124.749 Ave N Shift Values>> N :: 119.95(4.79) 1.V19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.83 C 0.16 C Shift Assignments>> C :: 175.805 CA :: 63.554 CB :: 32.091 CG1 :: 21.405 CG2 :: 20.146 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 :: 8.379 HA :: 4.068 HB :: 2.330 HG11 :: 1.034 HG12 :: 1.034 HG13 :: 1.034 HG21 :: 0.917 HG22 :: 0.917 HG23 :: 0.917 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 125.404 Ave N Shift Values>> N :: 121.02(4.96) 1.V20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.91 C 0.08 C Shift Assignments>> C :: 176.817 CA :: 65.169 CB :: 31.953 CG1 :: 21.652 CG2 :: 22.886 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 :: 8.578 HA :: 3.910 HB :: 2.395 HG11 :: 1.058 HG12 :: 1.058 HG13 :: 1.058 HG21 :: 0.509 HG22 :: 0.509 HG23 :: 0.509 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 :: 123.779 Ave N Shift Values>> N :: 121.02(4.96) 1.C21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.18 W 0.13 K 0.12 R 0.11 M 0.1 E 0.1 V 0.09 H 0.07 Q 0.04 C Shift Assignments>> C :: 176.238 CA :: 58.902 CB :: 31.959 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.849 HA :: 4.711 HB2 :: 3.191 HB3 :: 2.635 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 :: 117.133 Ave N Shift Values>> N :: 119.95(4.79) 1.Q22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 Q 0.23 K 0.18 E 0.1 R 0.07 C Shift Assignments>> C :: 176.101 CA :: 58.243 CB :: 27.098 CG :: 34.400 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 :: 7.713 HA :: 4.145 HB2 :: 2.269 HB3 :: 2.269 HG2 :: 2.263 HG3 :: 2.183 HE21 :: 6.684 HE22 :: 7.376 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 118.014 NE2 :: 112.711 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.N23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 N 0.23 C 0.12 L 0.12 F 0.07 Y 0.07 K 0.03 C Shift Assignments>> C :: 174.792 CA :: 53.458 CB :: 40.316 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 :: 9.014 HA :: 4.967 HB2 :: 2.854 HB3 :: 2.559 HD21 :: 6.846 HD22 :: 7.684 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 118.385 ND2 :: 112.758 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.G24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.56 L 0.17 R 0.12 C 0.1 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> C :: 172.185 CA :: 44.714 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.638 HA2 :: 4.336 HA3 :: 3.854 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.213 Ave N Shift Values>> N :: 109.91(4.29) 1.T25 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 :: 174.928 CA :: 61.959 CB :: 70.066 CG2 :: 21.941 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 :: 8.741 HA :: 4.599 HB :: 3.939 HG21 :: 1.289 HG22 :: 1.289 HG23 :: 1.289 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 :: 119.627 Ave N Shift Values>> N :: 115.7(5.05) 1.V26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.92 C 0.07 C Shift Assignments>> CA :: 65.209 CB :: 31.452 CG1 :: 21.388 CG2 :: 21.817 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 :: 8.910 HA :: 3.114 HB :: 1.809 HG11 :: 0.825 HG12 :: 0.825 HG13 :: 0.825 HG21 :: 0.725 HG22 :: 0.725 HG23 :: 0.725 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 :: 128.029 Ave N Shift Values>> N :: 121.02(4.96) 1.N27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.28 L 0.24 C 0.11 K 0.09 R 0.09 N 0.08 F 0.03 Y 0.02 G 0.02 C Shift Assignments>> C :: 172.609 CA :: 52.401 CB :: 42.263 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 :: 8.675 HA :: 5.119 HB2 :: 2.410 HB3 :: 2.720 HD21 :: 6.729 HD22 :: 8.862 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 :: 121.633 ND2 :: 115.164 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.W28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 W 0.47 C Shift Assignments>> C :: 174.906 CA :: 56.646 CB :: 33.117 CD1 :: 125.951 CE3 :: 119.864 CZ2 :: 114.614 CZ3 :: 121.604 CH2 :: 124.161 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 :: 7.151 HA :: 5.008 HB2 :: 2.711 HB3 :: 2.902 HD1 :: 6.873 HE1 :: 11.837 HE3 :: 7.193 HZ2 :: 7.479 HZ3 :: 6.949 HH2 :: 7.193 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 116.697 NE1 :: 133.361 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.V29 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> V 0.6 C 0.39 C Shift Assignments>> C :: 174.661 CA :: 60.833 CB :: 32.985 CG1 :: 20.255 CG2 :: 21.388 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 :: 9.248 HA :: 4.164 HB :: 0.799(S) HG11 :: 0.591 HG12 :: 0.591 HG13 :: 0.591 HG21 :: 0.583 HG22 :: 0.583 HG23 :: 0.583 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 :: 126.501 Ave N Shift Values>> N :: 121.02(4.96) 1.L30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.38 C 0.3 A 0.24 R 0.04 C Shift Assignments>> C :: 175.054 CA :: 54.324 CB :: 41.692 CG :: 27.251 CD1 :: 21.496 CD2 :: 24.785 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 :: 7.621 HA :: 4.603 HB2 :: 2.250 HB3 :: 1.473 HG :: 1.930 HD11 :: 0.856 HD12 :: 0.856 HD13 :: 0.856 HD21 :: 1.021 HD22 :: 1.021 HD23 :: 1.021 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 :: 124.464 Ave N Shift Values>> N :: 121.98(4.07) 1.L31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.74 C 0.16 G 0.03 R 0.03 A 0.02 C Shift Assignments>> CA :: 51.677 CB :: 42.203 CG :: 27.158 CD1 :: 25.255 CD2 :: 23.905 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 :: 8.930 HA :: 4.768 HB2 :: 1.776 HB3 :: 1.563 HG :: 1.610 HD11 :: 0.980 HD12 :: 0.980 HD13 :: 0.980 HD21 :: 0.948 HD22 :: 0.948 HD23 :: 0.948 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 121.060 Ave N Shift Values>> N :: 121.98(4.07) 1.P32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.77 P 0.2 A 0.01 C Shift Assignments>> CA :: 64.005 CB :: 35.654 CG :: 24.967 CD :: 50.680 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 :: 4.480 HB2 :: 2.394 HB3 :: 2.243 HG2 :: 1.854 HG3 :: 2.042 HD2 :: 3.401 HD3 :: 4.143 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.C33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.35 V 0.32 C 0.13 W 0.08 R 0.03 E 0.02 H 0.01 K 0.01 C Shift Assignments>> CA :: 62.442 CB :: 31.178 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.533 HA :: 4.234 HB2 :: 2.725 HB3 :: 2.787 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 :: 123.369 Ave N Shift Values>> N :: 119.95(4.79) 1.R34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.4 C 0.34 K 0.12 G 0.07 L 0.04 C Shift Assignments>> CA :: 58.672 CB :: 29.352 CG :: 26.703 CD :: 43.338 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 :: 8.880 HA :: 3.887 HB2 :: 1.342 HB3 :: 1.650 HG2 :: 2.054 HG3 :: 2.010 HD2 :: 3.122 HD3 :: 3.185 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 :: 116.213 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.H35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.43 C 0.33 H 0.22 C Shift Assignments>> CA :: 61.230 CB :: 30.948 CD2 :: 119.184 CE1 :: 137.766 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 :: 8.724 HA :: 4.621 HB2 :: 3.070 HB3 :: 3.627 HD2 :: 7.343 HE1 :: 7.826 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 :: 122.455 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.T36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.85 C 0.13 C Shift Assignments>> CA :: 59.435 CB :: 69.504 CG2 :: 20.825 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 :: 9.172 HA :: 5.133 HB :: 4.102 HG21 :: 1.094 HG22 :: 1.094 HG23 :: 1.094 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 :: 120.061 Ave N Shift Values>> N :: 115.7(5.05) 1.C37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.15 W 0.14 E 0.14 H 0.14 C 0.13 Q 0.11 M 0.08 K 0.07 V 0.01 HN Overlap>> 1.M51 1.M51 C Shift Assignments>> C :: 171.830 CA :: 56.916 CB :: 30.559 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 9.235 HA :: 5.122 HB2 :: 2.915 HB3 :: 3.228 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 119.726 Ave N Shift Values>> N :: 119.95(4.79) 1.L38 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.61 G 0.31 L 0.06 C Shift Assignments>> C :: 176.853 CA :: 54.152 CB :: 47.134 CG :: 26.722 CD1 :: 25.571 CD2 :: 27.726 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 :: 7.375 HA :: 6.093(S) HB2 :: 1.773 HB3 :: 1.353 HG :: 1.755 HD11 :: 0.654 HD12 :: 0.654 HD13 :: 0.654 HD21 :: 0.790 HD22 :: 0.790 HD23 :: 0.790 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 122.111 Ave N Shift Values>> N :: 121.98(4.07) 1.C39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.2 Q 0.2 M 0.17 K 0.17 E 0.07 W 0.04 R 0.03 H 0.03 V 0.03 Y 0.01 C Shift Assignments>> C :: 174.749 CA :: 56.978 CB :: 33.935 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.731 HA :: 5.307 HB2 :: 3.594 HB3 :: 2.488 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 :: 122.258 Ave N Shift Values>> N :: 119.95(4.79) 1.D40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.23 L 0.18 F 0.13 R 0.13 C 0.12 Y 0.1 D 0.08 C Shift Assignments>> C :: 177.968 CA :: 57.155 CB :: 41.925 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 :: 9.198 HA :: 4.703 HB2 :: 2.934 HB3 :: 2.778 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 :: 116.896 Ave N Shift Values>> N :: 120.73(4.2) 1.G41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 C 0.1 L 0.06 C Shift Assignments>> C :: 176.114 CA :: 46.043 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.810 HA2 :: 4.035 HA3 :: 4.035 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.323 Ave N Shift Values>> N :: 109.91(4.29) 1.C42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.42 P 0.38 C 0.1 W 0.03 R 0.01 C Shift Assignments>> C :: 178.162 CA :: 63.030 CB :: 32.502 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.202 HA :: 4.431 HB2 :: 3.180 HB3 :: 2.803 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 :: 123.574 Ave N Shift Values>> N :: 119.95(4.79) 1.V43 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.57 V 0.42 C Shift Assignments>> C :: 175.586 CA :: 65.360 CB :: 30.898 CG1 :: 17.167 CG2 :: 20.089 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 :: 7.814 HA :: 3.868 HB :: 1.601 HG11 :: -0.303(S) HG12 :: -0.303(S) HG13 :: -0.303(S) HG21 :: 0.342 HG22 :: 0.342 HG23 :: 0.342 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 117.294 Ave N Shift Values>> N :: 121.02(4.96) 1.K44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.35 C 0.34 R 0.25 M 0.03 C Shift Assignments>> C :: 177.362 CA :: 57.278 CB :: 31.528 CG :: 24.134 CD :: 28.808 CE :: 41.944 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.185 HA :: 3.875 HB2 :: 1.399 HB3 :: 1.312 HG2 :: 0.827 HG3 :: 0.972 HD2 :: 1.419 HD3 :: 1.419 HE2 :: 2.785 HE3 :: 2.828 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 :: 117.080 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.Y45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.55 C 0.43 C Shift Assignments>> C :: 175.280 CA :: 58.460 CB :: 38.414 CD1 :: 132.941 CD2 :: 132.941 CE1 :: 118.458 CE2 :: 118.458 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 :: 7.625 HA :: 4.364 HB2 :: 2.943 HB3 :: 2.671 HD1 :: 7.124 HD2 :: 7.124 HE1 :: 6.856 HE2 :: 6.856 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 :: 115.632 Ave N Shift Values>> N :: 120.79(4.69) 1.F46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.62 C 0.37 C Shift Assignments>> C :: 174.744 CA :: 59.427 CB :: 40.160 CD1 :: 132.315 CD2 :: 132.315 CE1 :: 131.331 CE2 :: 131.331 CZ :: 129.823 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 7.020 HA :: 4.443 HB2 :: 2.555 HB3 :: 3.178 HD1 :: 7.540 HD2 :: 7.540 HE1 :: 7.294 HE2 :: 7.294 HZ :: 7.272 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 :: 117.383 Ave N Shift Values>> N :: 120.69(4.18) 1.Q47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.26 E 0.23 Q 0.2 K 0.17 M 0.09 R 0.01 C Shift Assignments>> CA :: 56.180 CB :: 29.778 CG :: 34.912 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 :: 8.627 HA :: 4.345 HB2 :: 2.267 HB3 :: 2.007 HG2 :: 2.411 HG3 :: 2.374 HE21 :: 6.728 HE22 :: 7.528 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>> NE2 :: 112.923 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.Q48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.41 C 0.39 E 0.09 Q 0.07 C Shift Assignments>> CA :: 53.560 CB :: 32.647 CG :: 34.786 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 :: 7.673 HA :: 4.773 HB2 :: 1.532 HB3 :: 1.746 HG2 :: 1.874 HG3 :: 1.874 HE21 :: 6.941 HE22 :: 7.389 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 :: 116.616 NE2 :: 111.392 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.C49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.16 C 0.15 K 0.14 R 0.13 H 0.11 W 0.1 E 0.09 Q 0.06 V 0.02 C Shift Assignments>> CA :: 56.346 CB :: 31.888 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.687 HA :: 4.084 HB2 :: 2.847 HB3 :: 3.220 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 :: 125.520 Ave N Shift Values>> N :: 119.95(4.79) 1.P50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.88 C 0.1 C Shift Assignments>> C :: 176.991 CA :: 64.317 CB :: 31.570 CG :: 26.988 CD :: 50.381 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 :: 4.381 HB2 :: 1.854 HB3 :: 1.601 HG2 :: 1.477 HG3 :: 1.101 HD2 :: 3.762 HD3 :: 3.401 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.M51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.49 C 0.48 A 0.01 HN Overlap>> 1.C37 1.C37 C Shift Assignments>> C :: 177.153 CA :: 57.459 CB :: 32.484 CG :: 31.825 CE :: 16.182 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 9.236 HA :: 4.319 HB2 :: 1.572 HB3 :: 1.281 HG2 :: 2.332 HG3 :: 2.332 HE1 :: 1.864 HE2 :: 1.864 HE3 :: 1.864 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 119.736 Ave N Shift Values>> N :: 120.1(3.88) 1.C52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.2 K 0.16 M 0.13 Q 0.12 W 0.09 V 0.08 R 0.07 E 0.05 H 0.05 C Shift Assignments>> C :: 175.883 CA :: 58.427 CB :: 32.963 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.368 HA :: 5.012 HB2 :: 3.458 HB3 :: 2.714 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 :: 118.839 Ave N Shift Values>> N :: 119.95(4.79) 1.R53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.31 L 0.3 K 0.18 R 0.15 G 0.03 C Shift Assignments>> C :: 175.154 CA :: 58.104 CB :: 26.869 CG :: 27.254 CD :: 42.617 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 :: 8.209 HA :: 4.040 HB2 :: 2.193 HB3 :: 2.009 HG2 :: 1.550 HG3 :: 1.482 HD2 :: 3.167 HD3 :: 3.097 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 :: 117.722 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.Q54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 E 0.29 Q 0.15 K 0.14 M 0.09 C Shift Assignments>> C :: 176.579 CA :: 56.983 CB :: 29.909 CG :: 35.305 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 :: 8.395 HA :: 4.368 HB2 :: 2.168 HB3 :: 2.168 HG2 :: 2.767 HG3 :: 2.516 HE21 :: 7.757 HE22 :: 7.030 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 :: 121.392 NE2 :: 114.027 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.F55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.61 C 0.38 C Shift Assignments>> C :: 175.940 CA :: 59.930 CB :: 39.157 CD1 :: 131.816 CD2 :: 131.816 CE1 :: 131.554 CE2 :: 131.554 CZ :: 130.181 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 :: 8.853 HA :: 4.507 HB2 :: 3.195 HB3 :: 3.049 HD1 :: 7.299 HD2 :: 7.299 HE1 :: 7.362 HE2 :: 7.362 HZ :: 7.299 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 123.736 Ave N Shift Values>> N :: 120.69(4.18) 1.V56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.74 C 0.25 C Shift Assignments>> C :: 175.447 CA :: 62.442 CB :: 32.493 CG1 :: 22.265 CG2 :: 22.084 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 :: 7.989 HA :: 4.055 HB :: 1.784 HG11 :: 0.926 HG12 :: 0.926 HG13 :: 0.926 HG21 :: 0.780 HG22 :: 0.780 HG23 :: 0.780 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 :: 127.404 Ave N Shift Values>> N :: 121.02(4.96) 1.Q57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.25 Q 0.23 K 0.18 E 0.16 M 0.12 R 0.02 C Shift Assignments>> C :: 176.303 CA :: 57.391 CB :: 30.086 CG :: 34.071 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 :: 9.368 HA :: 4.272 HB2 :: 2.194 HB3 :: 2.020 HG2 :: 2.522 HG3 :: 2.522 HE21 :: 6.954 HE22 :: 7.775 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 :: 128.971 NE2 :: 112.445 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.E58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 M 0.24 E 0.16 C Shift Assignments>> C :: 172.324 CA :: 55.120 CB :: 33.353 CG :: 36.322 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 :: 7.966 HA :: 4.629 HB2 :: 2.156 HB3 :: 2.099 HG2 :: 2.217 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 :: 115.812 Ave N Shift Values>> N :: 120.68(3.68) 1.S59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.83 T 0.16 C Shift Assignments>> C :: 173.481 CA :: 57.101 CB :: 66.527 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.453 HA :: 5.506 HB2 :: 3.939 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 :: 113.318 Ave N Shift Values>> N :: 116.3(3.95) 1.F60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.62 C 0.36 G 0.01 C Shift Assignments>> C :: 172.472 CA :: 56.603 CB :: 42.000 CD1 :: 132.347 CD2 :: 132.347 CE1 :: 130.948 CE2 :: 130.948 CZ :: 129.684 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 :: 8.582 HA :: 5.175 HB2 :: 2.998 HB3 :: 3.121 HD1 :: 7.033 HD2 :: 7.033 HE1 :: 7.178 HE2 :: 7.178 HZ :: 7.216 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 :: 116.972 Ave N Shift Values>> N :: 120.69(4.18) 1.A61 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> A 0.89 M 0.08 C 0.02 C Shift Assignments>> C :: 179.198 CA :: 50.165 CB :: 19.057 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.140 HA :: 3.836 HB1 :: 0.431(S) HB2 :: 0.431(S) HB3 :: 0.431(S) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.120 Ave N Shift Values>> N :: 123.23(3.7) 1.L62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.57 C 0.3 R 0.08 A 0.02 G 0.01 C Shift Assignments>> C :: 177.626 CA :: 55.907 CB :: 42.107 CG :: 27.012 CD1 :: 25.271 CD2 :: 23.010 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 :: 7.792 HA :: 4.032 HB2 :: 1.660 HB3 :: 1.398 HG :: 1.142 HD11 :: 0.697 HD12 :: 0.697 HD13 :: 0.697 HD21 :: 0.723 HD22 :: 0.723 HD23 :: 0.723 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 121.396 Ave N Shift Values>> N :: 121.98(4.07) 1.S63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.261 CA :: 57.507 CB :: 64.480 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.869 HA :: 4.514 HB2 :: 3.838 HB3 :: 3.838 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 113.157 Ave N Shift Values>> N :: 116.3(3.95) 1.G64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.58 L 0.16 R 0.1 C 0.09 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> C :: 172.129 CA :: 44.771 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.227 HA2 :: 4.163 HA3 :: 4.115 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.335 Ave N Shift Values>> N :: 109.91(4.29) 1.P65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.83 C 0.15 C Shift Assignments>> CA :: 63.602 CB :: 32.366 CG :: 27.159 CD :: 49.833 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 :: 4.476 HB2 :: 2.341 HB3 :: 2.341 HG2 :: 2.011 HG3 :: 2.011 HD2 :: 3.650 HD3 :: 3.650 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.S66 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S67 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G68 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: 64 #Clerical: 0 #Suspicious: 4 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 59 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 9 Shift Relative Order (SRO) Results: #Consistent: 68 #Suspicious: 0 C Shift Results: #Consistent: 245 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 390 #Duplicate: 0 #Unknown: 0 #Suspicious: 8 #Anomalous: 0 N Shift Results: #Consistent: 63 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.V29 HB = 0.799(S), Expected = 1.99, Std = 0.3300, ChiSquare = 3.0727e-04 1.L38 HA = 6.093(S), Expected = 4.32, Std = 0.4700, ChiSquare = 1.6172e-04 1.V43 HG11 = -0.303(S), Expected = 0.84, Std = 0.2700, ChiSquare = 2.3025e-05 1.V43 HG12 = -0.303(S), Expected = 0.84, Std = 0.2700, ChiSquare = 2.3025e-05 1.V43 HG13 = -0.303(S), Expected = 0.84, Std = 0.2700, ChiSquare = 2.3025e-05 1.A61 HB1 = 0.431(S), Expected = 1.38, Std = 0.2500, ChiSquare = 1.4705e-04 1.A61 HB2 = 0.431(S), Expected = 1.38, Std = 0.2500, ChiSquare = 1.4705e-04 1.A61 HB3 = 0.431(S), Expected = 1.38, Std = 0.2500, ChiSquare = 1.4705e-04