Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> HA :: 3.757 HB2 :: 2.532 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) 1.A2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> A 0.76 M 0.17 C 0.03 L 0.02 C Shift Assignments>> CA :: 52.161 CB :: 20.075 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> HA :: 4.032 HB1 :: 1.457 HB2 :: 1.457 HB3 :: 1.457 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) 1.L3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> L 0.59 C 0.26 R 0.08 G 0.04 C Shift Assignments>> C :: 175.225 CA :: 54.910 CB :: 42.855 CG :: 27.035 CD1 :: 25.008 CD2 :: 25.008 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> HA :: 4.440 HB2 :: 1.543 HB3 :: 1.747 HG :: 0.955 HD11 :: 0.948 HD12 :: 0.948 HD13 :: 0.948 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) 1.T4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.79 C 0.19 C Shift Assignments>> CA :: 59.544 CB :: 69.051 CG2 :: 22.253 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 :: 7.678 HA :: 4.687 HB :: 4.650 HG21 :: 1.393 HG22 :: 1.393 HG23 :: 1.393 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 :: 117.422 Ave N Shift Values>> N :: 115.7(5.05) 1.P5 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 :: 172.565 CA :: 65.803 CB :: 31.809 CG :: 27.895 CD :: 50.492 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 :: 4.290 HB2 :: 2.442 HB3 :: 1.986 HG2 :: 2.095 HG3 :: 2.219 HD2 :: 3.740 HD3 :: 4.013 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.A6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.5 A 0.41 C 0.03 I 0.02 V 0.01 C Shift Assignments>> C :: 171.288 CA :: 55.003 CB :: 18.707 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.147 HA :: 4.146 HB1 :: 1.401 HB2 :: 1.401 HB3 :: 1.401 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 118.240 Ave N Shift Values>> N :: 123.23(3.7) 1.L7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.59 C 0.38 C Shift Assignments>> C :: 173.296 CA :: 57.202 CB :: 41.555 CG :: 26.116 CD1 :: 23.141 CD2 :: 23.141 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 :: 7.786 HA :: 4.169 HB2 :: 1.611 HB3 :: 1.766 HG :: 0.928 HD11 :: 0.892 HD12 :: 0.892 HD13 :: 0.892 HD21 :: 0.892 HD22 :: 0.892 HD23 :: 0.892 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 120.897 Ave N Shift Values>> N :: 121.98(4.07) 1.K8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 K 0.32 R 0.23 G 0.03 C Shift Assignments>> C :: 173.684 CA :: 61.227 CB :: 32.560 CG :: 25.995 CD :: 29.148 CE :: 42.434 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 :: 8.556 HA :: 3.773 HB2 :: 2.112 HB3 :: 1.859 HG2 :: 1.491 HG3 :: 1.618 HD2 :: 1.800 HD3 :: 1.698 HE2 :: 2.854 HE3 :: 3.051 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 :: 120.974 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.T9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.98 C 0.01 C Shift Assignments>> C :: 174.678 CA :: 66.850 CB :: 68.957 CG2 :: 21.885 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 :: 8.260 HA :: 4.038 HB :: 4.267 HG21 :: 1.308 HG22 :: 1.308 HG23 :: 1.308 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 :: 114.002 Ave N Shift Values>> N :: 115.7(5.05) 1.T10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 HN Overlap>> 1.L99 1.L99 C Shift Assignments>> C :: 175.339 CA :: 67.257 CB :: 68.875 CG2 :: 21.241 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 :: 7.840 HA :: 3.867 HB :: 4.364 HG21 :: 1.152 HG22 :: 1.152 HG23 :: 1.152 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 :: 120.022 Ave N Shift Values>> N :: 115.7(5.05) 1.L11 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.63 L 0.34 C Shift Assignments>> C :: 173.754 CA :: 58.561 CB :: 40.369 CG :: 26.362 CD1 :: 22.329 CD2 :: 25.606 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 :: 8.337 HA :: 3.748 HB2 :: 0.095(S) HB3 :: 1.341 HG :: 1.452 HD11 :: 0.417 HD12 :: 0.417 HD13 :: 0.417 HD21 :: 0.202 HD22 :: 0.202 HD23 :: 0.202 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 :: 122.972 Ave N Shift Values>> N :: 121.98(4.07) 1.D12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.23 Y 0.21 C 0.17 D 0.1 L 0.1 K 0.07 I 0.05 N 0.02 HN Overlap>> 1.K44 1.K44 C Shift Assignments>> C :: 172.300 CA :: 57.249 CB :: 40.244 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 :: 8.726 HA :: 4.405 HB2 :: 2.979 HB3 :: 2.722 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 :: 118.556 Ave N Shift Values>> N :: 120.73(4.2) 1.K13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.39 C 0.35 R 0.22 M 0.01 HN Overlap>> 1.T90 1.T90 C Shift Assignments>> C :: 172.391 CA :: 59.091 CB :: 31.882 CG :: 25.059 CD :: 29.057 CE :: 42.104 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 :: 7.737 HA :: 3.962 HB2 :: 1.992 HB3 :: 1.992 HG2 :: 1.410 HG3 :: 1.544 HD2 :: 1.665 HD3 :: 1.665 HE2 :: 2.945 HE3 :: 2.986 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 :: 119.150 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.V14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.97 C 0.02 C Shift Assignments>> C :: 171.979 CA :: 67.295 CB :: 31.906 CG1 :: 22.429 CG2 :: 21.659 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 :: 8.240 HA :: 3.805 HB :: 2.260 HG11 :: 1.128 HG12 :: 1.128 HG13 :: 1.128 HG21 :: 1.005 HG22 :: 1.005 HG23 :: 1.005 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 :: 121.499 Ave N Shift Values>> N :: 121.02(4.96) 1.V15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.88 C 0.11 C Shift Assignments>> C :: 175.104 CA :: 65.226 CB :: 31.705 CG1 :: 19.175 CG2 :: 20.983 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 :: 8.412 HA :: 4.152 HB :: 2.201 HG11 :: 1.142 HG12 :: 1.142 HG13 :: 1.142 HG21 :: 0.585 HG22 :: 0.585 HG23 :: 0.585 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 :: 111.331 Ave N Shift Values>> N :: 121.02(4.96) 1.T16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.91 C 0.08 C Shift Assignments>> C :: 175.225 CA :: 61.924 CB :: 70.120 CG2 :: 22.144 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 :: 7.399 HA :: 4.639 HB :: 4.470 HG1 :: 4.219 HG21 :: 1.395 HG22 :: 1.395 HG23 :: 1.395 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 :: 106.259 Ave N Shift Values>> N :: 115.7(5.05) 1.S17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 179.055 CA :: 60.713 CB :: 63.864 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.595 HA :: 4.267 HB2 :: 3.774 HB3 :: 3.845 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 :: 117.131 Ave N Shift Values>> N :: 116.3(3.95) 1.H18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.21 C 0.2 Q 0.2 K 0.16 E 0.05 H 0.04 W 0.03 R 0.03 V 0.01 C Shift Assignments>> C :: 177.116 CA :: 54.949 CB :: 33.837 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 7.061 HA :: 4.625 HB2 :: 2.605 HB3 :: 2.977 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 :: 117.987 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.K19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.4 C 0.39 R 0.16 G 0.01 M 0.01 HN Overlap>> 1.A93 1.A93 C Shift Assignments>> C :: 174.532 CA :: 58.793 CB :: 33.383 CG :: 24.633 CD :: 28.885 CE :: 42.460 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 :: 8.531 HA :: 4.251 HB2 :: 1.676 HB3 :: 2.124 HG2 :: 1.670 HG3 :: 1.540 HD2 :: 1.549 HD3 :: 1.853 HE2 :: 3.056 HE3 :: 3.056 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 :: 121.628 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.V20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.63 C 0.35 C Shift Assignments>> C :: 177.001 CA :: 61.727 CB :: 33.372 CG1 :: 21.003 CG2 :: 23.361 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 :: 8.760 HA :: 4.961 HB :: 2.381 HG11 :: 0.907 HG12 :: 0.907 HG13 :: 0.907 HG21 :: 0.784 HG22 :: 0.784 HG23 :: 0.784 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 :: 119.267 Ave N Shift Values>> N :: 121.02(4.96) 1.V21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 V 0.47 I 0.01 C Shift Assignments>> C :: 178.771 CA :: 61.142 CB :: 35.545 CG1 :: 22.815 CG2 :: 21.318 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 :: 8.884 HA :: 4.777 HB :: 1.772 HG11 :: 0.846 HG12 :: 0.846 HG13 :: 0.846 HG21 :: 0.157 HG22 :: 0.157 HG23 :: 0.157 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 :: 126.438 Ave N Shift Values>> N :: 121.02(4.96) 1.L22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.63 C 0.23 L 0.12 C Shift Assignments>> C :: 177.069 CA :: 52.315 CB :: 46.071 CG :: 28.150 CD1 :: 24.866 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 :: 8.966 HA :: 5.235 HB2 :: 0.881 HB3 :: 1.920 HG :: 0.857 HD11 :: 0.951 HD12 :: 0.951 HD13 :: 0.951 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 :: 127.959 Ave N Shift Values>> N :: 121.98(4.07) 1.F23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.27 F 0.25 C 0.2 I 0.1 D 0.05 L 0.04 E 0.03 N 0.02 C Shift Assignments>> C :: 175.977 CA :: 57.721 CB :: 39.176 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 :: 9.457 HA :: 5.235 HB2 :: 2.988 HB3 :: 3.504 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 :: 126.915 Ave N Shift Values>> N :: 120.69(4.18) 1.M24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.49 C 0.33 M 0.14 I 0.02 C Shift Assignments>> C :: 179.588 CA :: 54.045 CB :: 37.006 CE :: 18.046 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 :: 9.473 HA :: 5.102 HE1 :: 1.683 HE2 :: 1.683 HE3 :: 1.683 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 :: 121.031 Ave N Shift Values>> N :: 120.1(3.88) 1.K25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 R 0.31 G 0.21 K 0.05 C Shift Assignments>> C :: 176.621 CA :: 56.791 CB :: 32.162 CG :: 24.821 CD :: 27.079 CE :: 44.361 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 :: 8.053 HA :: 4.459 HG2 :: 0.945 HG3 :: 0.945 HD2 :: 1.352 HD3 :: 1.521 HE2 :: 3.006 HE3 :: 3.251 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 :: 117.565 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.G26 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.28 R 0.26 L 0.25 C 0.1 F 0.03 D 0.02 Y 0.01 K 0.01 C Shift Assignments>> C :: 180.433(S) CA :: 44.112 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> HA2 :: 4.553 HA3 :: 3.871 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) 1.T27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.66 C 0.32 C Shift Assignments>> C :: 176.505 CA :: 59.220 CB :: 71.909 CG2 :: 22.111 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 :: 7.174 HA :: 4.778 HB :: 4.585 HG21 :: 1.255 HG22 :: 1.255 HG23 :: 1.255 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 108.008 Ave N Shift Values>> N :: 115.7(5.05) 1.K28 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.47 K 0.43 R 0.05 M 0.03 C Shift Assignments>> C :: 174.756 CA :: 60.206 CB :: 32.724 CG :: 24.585 CD :: 29.840 CE :: 41.074 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 :: 8.194 HA :: 3.741 HB2 :: 1.655 HB3 :: 1.767 HG2 :: 1.290 HG3 :: 1.414 HD2 :: 1.284 HD3 :: 1.284 HE2 :: 2.129(S) HE3 :: 2.530 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 116.986 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.D29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.21 D 0.21 K 0.17 C 0.1 F 0.09 Y 0.07 R 0.06 N 0.04 C Shift Assignments>> C :: 176.089 CA :: 55.014 CB :: 41.568 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 :: 7.690 HA :: 4.412 HB2 :: 2.299 HB3 :: 2.363 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 :: 112.771 Ave N Shift Values>> N :: 120.73(4.2) 1.F30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.2 D 0.19 C 0.18 Y 0.16 F 0.14 L 0.06 E 0.01 I 0.01 C Shift Assignments>> CA :: 55.081 CB :: 39.177 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 :: 7.521 HA :: 4.858 HB2 :: 2.753 HB3 :: 3.078 HE1 :: 7.181 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 :: 118.492 Ave N Shift Values>> N :: 120.69(4.18) 1.P31 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.Q32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.25 C 0.24 K 0.17 E 0.15 M 0.14 R 0.01 HN Overlap>> 1.S52 1.S52 C Shift Assignments>> CA :: 55.211 CB :: 30.076 CG :: 34.300 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 :: 8.681 HA :: 4.540 HB2 :: 1.145 HB3 :: 2.537 HG2 :: 2.274 HG3 :: 2.274 HE21 :: 7.376 HE22 :: 6.741 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 :: 120.485 NE2 :: 112.229 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.C33 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G34 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.F35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> F 0.11 S 0.11 Y 0.1 W 0.09 C 0.09 E 0.08 R 0.06 K 0.06 Q 0.05 H 0.04 M 0.04 I 0.03 L 0.02 V 0.02 T 0.02 C Shift Assignments>> CA :: 58.388 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) 1.S36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.3 V 0.24 T 0.2 I 0.16 C 0.02 F 0.01 Y 0.01 C Shift Assignments>> CA :: 63.467 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.202 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 :: 120.484 Ave N Shift Values>> N :: 116.3(3.95) 1.Q37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 K 0.23 Q 0.2 R 0.08 E 0.07 I 0.03 P 0.02 M 0.02 C Shift Assignments>> CA :: 59.855 CB :: 28.537 CG :: 33.465 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>> HA :: 3.802 HB2 :: 2.048 HB3 :: 2.330 HG2 :: 2.330 HG3 :: 2.330 HE21 :: 7.397 HE22 :: 6.807 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 :: 111.046 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.T38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> T 0.98 C 0.01 C Shift Assignments>> CA :: 67.086 CB :: 69.042 CG2 :: 22.064 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>> HA :: 3.842 HB :: 4.489 HG21 :: 1.110 HG22 :: 1.110 HG23 :: 1.110 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) 1.V39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.89 C 0.1 C Shift Assignments>> CA :: 67.748 CB :: 31.342 CG1 :: 23.692 CG2 :: 24.143 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>> HA :: 3.447 HB :: 2.006 HG11 :: 0.879 HG12 :: 0.879 HG13 :: 0.879 HG21 :: 1.157 HG22 :: 1.157 HG23 :: 1.157 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) 1.V40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.84 C 0.15 C Shift Assignments>> C :: 174.451 CA :: 67.685 CB :: 31.546 CG1 :: 25.080 CG2 :: 21.919 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>> HA :: 3.264 HB :: 2.226 HG11 :: 1.061 HG12 :: 1.061 HG13 :: 1.061 HG21 :: 1.145 HG22 :: 1.145 HG23 :: 1.145 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) 1.Q41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.31 Q 0.21 K 0.2 E 0.11 R 0.06 I 0.05 M 0.01 C Shift Assignments>> C :: 172.095 CA :: 59.148 CB :: 27.911 CG :: 34.163 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 :: 8.214 HA :: 3.910 HB2 :: 2.090 HB3 :: 2.201 HG2 :: 2.395 HG3 :: 2.497 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 :: 117.303 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.I42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.92 C 0.07 C Shift Assignments>> CA :: 65.630 CB :: 37.650 CG1 :: 29.293 CG2 :: 16.365 CD1 :: 14.919 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 :: 7.578 HA :: 3.154 HB :: 1.597 HG12 :: 0.125 HG13 :: 1.579 HG21 :: 0.191 HG22 :: 0.191 HG23 :: 0.191 HD11 :: 0.588 HD12 :: 0.588 HD13 :: 0.588 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 :: 121.200 Ave N Shift Values>> N :: 121.6(4.72) 1.L43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.61 L 0.33 A 0.02 R 0.01 HN Overlap>> 1.K95 1.K95 C Shift Assignments>> C :: 171.233 CA :: 58.194 CB :: 40.876 CG :: 25.950 CD1 :: 25.735 CD2 :: 20.994 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 :: 8.090 HA :: 3.686 HB2 :: 0.693 HB3 :: 1.160 HG :: 1.394 HD11 :: -0.109 HD12 :: -0.109 HD13 :: -0.109 HD21 :: 0.390 HD22 :: 0.390 HD23 :: 0.390 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 :: 119.747 Ave N Shift Values>> N :: 121.98(4.07) 1.K44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 K 0.31 R 0.26 M 0.01 HN Overlap>> 1.D12 1.D12 C Shift Assignments>> C :: 170.840 CA :: 59.957 CB :: 32.356 CG :: 26.277 CD :: 30.014 CE :: 41.780 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 :: 8.692 HA :: 4.300 HB2 :: 1.910 HB3 :: 1.910 HG2 :: 1.585 HG3 :: 1.866 HD2 :: 1.684 HD3 :: 1.684 HE2 :: 2.859 HE3 :: 2.859 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 118.556 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 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 :: 176.162 CA :: 61.440 CB :: 62.945 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.059 HA :: 4.335 HB2 :: 4.114 HB3 :: 4.042 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 :: 117.700 Ave N Shift Values>> N :: 116.3(3.95) 1.L46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.6 C 0.28 R 0.04 A 0.03 G 0.02 C Shift Assignments>> C :: 174.768 CA :: 54.893 CB :: 42.273 CG :: 25.919 CD1 :: 23.210 CD2 :: 25.950 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 :: 7.460 HA :: 4.373 HB2 :: 1.666 HB3 :: 1.878 HG :: 2.000 HD11 :: 0.984 HD12 :: 0.984 HD13 :: 0.984 HD21 :: 0.782 HD22 :: 0.782 HD23 :: 0.782 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 120.210 Ave N Shift Values>> N :: 121.98(4.07) 1.N47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.31 C 0.25 Y 0.11 E 0.1 F 0.06 D 0.06 M 0.04 K 0.01 I 0.01 L 0.01 C Shift Assignments>> C :: 177.584 CA :: 54.228 CB :: 37.403 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.142 HA :: 4.391 HB2 :: 2.788 HB3 :: 3.124 HD21 :: 7.599 HD22 :: 6.814 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 :: 115.794 ND2 :: 112.852 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.A48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.88 M 0.06 C 0.02 G 0.02 C Shift Assignments>> CA :: 49.352 CB :: 19.023 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.581 HA :: 4.796 HB1 :: 1.211 HB2 :: 1.211 HB3 :: 1.211 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.790 Ave N Shift Values>> N :: 123.23(3.7) 1.P49 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 :: 175.468 CA :: 62.591 CB :: 31.554 CG :: 27.368 CD :: 50.583 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 :: 4.614 HB2 :: 1.993 HB3 :: 2.240 HG2 :: 2.105 HG3 :: 2.221 HD2 :: 3.744 HD3 :: 4.013 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.F50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.2 K 0.19 D 0.16 F 0.11 C 0.11 Y 0.09 R 0.07 N 0.02 C Shift Assignments>> C :: 178.872 CA :: 55.827 CB :: 41.511 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 :: 7.827 HA :: 5.068 HB2 :: 2.427 HB3 :: 2.934 HE1 :: 7.114 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 :: 115.375 Ave N Shift Values>> N :: 120.69(4.18) 1.E51 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> M 0.37 C 0.3 Q 0.17 E 0.08 K 0.05 C Shift Assignments>> C :: 176.661 CA :: 53.514 CB :: 31.551 CG :: 34.129 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 :: 8.370 HA :: 4.517 HB2 :: 1.160(S) HB3 :: 1.506 HG2 :: 1.539(S) HG3 :: 1.639 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 :: 122.795 Ave N Shift Values>> N :: 120.68(3.68) 1.S52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.77 T 0.22 HN Overlap>> 1.Q32 1.Q32 C Shift Assignments>> C :: 178.340 CA :: 56.243 CB :: 66.830 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.680 HA :: 5.439 HB2 :: 3.572 HB3 :: 3.906 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 :: 120.495 Ave N Shift Values>> N :: 116.3(3.95) 1.V53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.55 C 0.43 HN Overlap>> 1.N54 1.N54 C Shift Assignments>> C :: 177.043 CA :: 61.181 CB :: 34.547 CG1 :: 19.852 CG2 :: 20.815 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.758 HA :: 4.103 HB :: 1.730 HG11 :: 0.492 HG12 :: 0.492 HG13 :: 0.492 HG21 :: 0.910 HG22 :: 0.910 HG23 :: 0.910 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 :: 124.979 Ave N Shift Values>> N :: 121.02(4.96) 1.N54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.59 C 0.18 D 0.1 Y 0.04 F 0.03 L 0.01 HN Overlap>> 1.V53 1.V53 C Shift Assignments>> C :: 173.239 CA :: 51.355 CB :: 38.136 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 :: 8.710 HA :: 5.328 HB2 :: 2.704 HB3 :: 3.075 HD21 :: 7.729 HD22 :: 7.461 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 :: 124.913 ND2 :: 111.510 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.I55 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.84 I 0.13 V 0.01 C Shift Assignments>> C :: 175.219 CA :: 61.779 CB :: 37.464 CG1 :: 26.022 CG2 :: 22.163 CD1 :: 15.035 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 :: 9.038 HA :: 4.056 HB :: 1.669 HG12 :: -0.020(S) HG13 :: 0.835 HG21 :: 0.782 HG22 :: 0.782 HG23 :: 0.782 HD11 :: 0.075 HD12 :: 0.075 HD13 :: 0.075 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 :: 120.294 Ave N Shift Values>> N :: 121.6(4.72) 1.L56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.52 C 0.38 A 0.08 C Shift Assignments>> C :: 173.295 CA :: 55.785 CB :: 41.079 CG :: 25.860 CD1 :: 23.701 CD2 :: 21.896 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 :: 7.878 HA :: 4.110 HB2 :: 2.003 HB3 :: 1.605 HG :: 0.979 HD11 :: 0.900 HD12 :: 0.900 HD13 :: 0.900 HD21 :: 0.857 HD22 :: 0.857 HD23 :: 0.857 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 116.847 Ave N Shift Values>> N :: 121.98(4.07) 1.E57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.39 C 0.37 M 0.1 K 0.05 I 0.05 Q 0.02 C Shift Assignments>> C :: 175.785 CA :: 56.459 CB :: 30.472 CG :: 36.660 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 :: 7.177 HA :: 4.305 HB2 :: 1.911 HB3 :: 2.235 HG2 :: 2.230 HG3 :: 2.230 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 :: 114.498 Ave N Shift Values>> N :: 120.68(3.68) 1.N58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.36 D 0.29 C 0.12 L 0.07 F 0.06 Y 0.05 K 0.01 C Shift Assignments>> CA :: 52.675 CB :: 39.858 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 6.921 HA :: 4.815 HB2 :: 2.648 HB3 :: 2.790 HD21 :: 7.847 HD22 :: 6.948 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 :: 115.243 ND2 :: 113.055 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.E59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.33 C 0.32 I 0.13 K 0.09 Q 0.05 M 0.04 C Shift Assignments>> C :: 173.409 CA :: 59.131 CB :: 29.750 CG :: 35.876 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 :: 9.000 HA :: 4.109 HB2 :: 2.060 HB3 :: 2.060 HG2 :: 2.234 HG3 :: 2.358 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 :: 126.647 Ave N Shift Values>> N :: 120.68(3.68) 1.L60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.57 C 0.37 R 0.03 HN Overlap>> 1.K95 1.K95 C Shift Assignments>> C :: 171.141 CA :: 58.060 CB :: 41.318 CG :: 27.090 CD1 :: 24.908 CD2 :: 24.908 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 :: 8.108 HA :: 4.151 HB2 :: 1.609 HB3 :: 1.790 HG :: 1.697 HD11 :: 0.974 HD12 :: 0.974 HD13 :: 0.974 HD21 :: 0.974 HD22 :: 0.974 HD23 :: 0.974 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 :: 119.584 Ave N Shift Values>> N :: 121.98(4.07) 1.L61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.56 C 0.34 R 0.07 C Shift Assignments>> C :: 174.103 CA :: 57.810 CB :: 41.907 CG :: 27.061 CD1 :: 24.878 CD2 :: 25.007 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 :: 7.540 HA :: 3.919 HB2 :: 1.610 HB3 :: 1.610 HG :: 1.526 HD11 :: 0.796 HD12 :: 0.796 HD13 :: 0.796 HD21 :: 0.825 HD22 :: 0.825 HD23 :: 0.825 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 :: 119.678 Ave N Shift Values>> N :: 121.98(4.07) 1.R62 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Anomalous H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.99 C Shift Assignments>> C :: 174.712 CA :: 60.047 CB :: 31.215 CG :: 36.685(S) CD :: 29.289(A) 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 :: 8.011 HA :: 3.708 HB2 :: 2.062 HB3 :: 2.062 HG2 :: 2.273 HG3 :: 2.444 HD2 :: 2.129(S) HD3 :: 2.129(S) 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 :: 119.221 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) SRO Rule Breaks>> (HD2 > HG2 : 0.9976) (HD3 > HG2 : 0.9974) (HD2 > HG3 : 0.9983) (HD3 > HG3 : 0.9982) (CD > CB : 0.9978) (CD > CG : 0.9985) 1.Q63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.26 K 0.25 Q 0.23 R 0.14 E 0.04 M 0.03 C Shift Assignments>> C :: 171.237 CA :: 57.402 CB :: 28.081 CG :: 33.111 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 :: 8.063 HA :: 4.302 HB2 :: 2.095 HB3 :: 2.137 HG2 :: 2.600 HG3 :: 2.600 HE21 :: 7.878 HE22 :: 6.954 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 :: 112.188 NE2 :: 112.475 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.G64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.66 C 0.23 L 0.03 P 0.02 A 0.02 C Shift Assignments>> C :: 175.459 CA :: 47.418 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.489 HA2 :: 3.630 HA3 :: 3.914 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.782 Ave N Shift Values>> N :: 109.91(4.29) 1.L65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.42 C 0.37 R 0.18 G 0.01 K 0.01 C Shift Assignments>> C :: 172.687 CA :: 57.779 CB :: 42.010 CG :: 27.668 CD1 :: 23.524 CD2 :: 25.776 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 :: 8.795 HA :: 4.042 HB2 :: 1.674 HB3 :: 1.996 HG :: 1.295 HD11 :: 0.205 HD12 :: 0.205 HD13 :: 0.205 HD21 :: 0.214 HD22 :: 0.214 HD23 :: 0.214 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 :: 122.037 Ave N Shift Values>> N :: 121.98(4.07) 1.K66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.41 C 0.37 R 0.17 M 0.02 C Shift Assignments>> C :: 171.705 CA :: 59.005 CB :: 32.407 CG :: 25.105 CD :: 29.385 CE :: 42.016 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 :: 7.217 HA :: 4.558 HB2 :: 1.760 HB3 :: 1.938 HG2 :: 1.411 HG3 :: 1.546 HD2 :: 1.665 HD3 :: 1.665 HE2 :: 2.942 HE3 :: 2.998 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 :: 117.482 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.E67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.35 I 0.09 M 0.08 K 0.05 Q 0.03 C Shift Assignments>> C :: 172.727 CA :: 58.243 CB :: 30.550 CG :: 36.354 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 6.937 HA :: 4.195 HB2 :: 2.140 HB3 :: 2.140 HG2 :: 2.233 HG3 :: 2.364 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 117.163 Ave N Shift Values>> N :: 120.68(3.68) 1.Y68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.33 F 0.25 Y 0.17 C 0.17 K 0.03 L 0.01 R 0.01 C Shift Assignments>> C :: 174.092 CA :: 61.580 CB :: 40.790 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 :: 8.959 HA :: 4.001 HB2 :: 2.982 HB3 :: 2.982 HD1 :: 6.947 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 122.251 Ave N Shift Values>> N :: 120.79(4.69) 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 :: 178.464 CA :: 57.051 CB :: 63.671 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.512 HA :: 4.210 HB2 :: 3.152 HB3 :: 3.490 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 :: 111.256 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 :: 178.475 CA :: 58.856 CB :: 61.785 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.338 HA :: 3.901 HB2 :: 4.003 HB3 :: 4.063 HG :: 4.554 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 114.017 Ave N Shift Values>> N :: 116.3(3.95) 1.W71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.22 M 0.22 K 0.13 H 0.11 R 0.09 W 0.07 Q 0.06 E 0.03 C Shift Assignments>> CA :: 53.250 CB :: 32.326 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 :: 7.668 HA :: 5.068 HB2 :: 2.428 HB3 :: 2.655 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 :: 120.495 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.P72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.86 C 0.13 C Shift Assignments>> CA :: 64.111 CB :: 32.297 CG :: 26.361 CD :: 50.220 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.186 HB2 :: 1.899 HB3 :: 2.011 HG2 :: 1.332 HG3 :: 1.689 HD2 :: 3.235 HD3 :: 2.414 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.T73 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.F74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> F 0.2 Y 0.17 C 0.15 L 0.13 D 0.13 K 0.11 I 0.03 N 0.02 R 0.01 C Shift Assignments>> CA :: 56.831 CB :: 40.601 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>> HA :: 4.600 HB2 :: 2.729 HB3 :: 3.002 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) 1.P75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.96 A 0.01 C Shift Assignments>> C :: 175.750 CA :: 62.366 CB :: 36.748 CG :: 24.773 CD :: 51.492 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 5.490 HB2 :: 2.384 HB3 :: 2.688 HG2 :: 1.852 HG3 :: 2.060 HD2 :: 3.644 HD3 :: 3.997 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.Q76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 M 0.34 Q 0.14 E 0.13 K 0.02 C Shift Assignments>> C :: 178.436 CA :: 56.470 CB :: 32.357 CG :: 34.187 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 :: 9.419 HA :: 4.857 HB2 :: 2.506 HE21 :: 7.409 HE22 :: 6.891 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 :: 117.853 NE2 :: 111.534 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.L77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.49 C 0.31 R 0.13 L 0.05 C Shift Assignments>> C :: 177.732 CA :: 54.144 CB :: 44.614 CG :: 24.714 CD1 :: 27.222 CD2 :: 27.532 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 :: 8.562 HA :: 5.331 HB2 :: 1.139 HB3 :: 2.020 HG :: 0.764 HD11 :: 0.603 HD12 :: 0.603 HD13 :: 0.603 HD21 :: 1.241 HD22 :: 1.241 HD23 :: 1.241 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 :: 127.030 Ave N Shift Values>> N :: 121.98(4.07) 1.Y78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.22 F 0.17 L 0.14 C 0.13 Y 0.13 R 0.09 D 0.06 I 0.03 C Shift Assignments>> C :: 176.984 CA :: 57.817 CB :: 41.633 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 9.880 HA :: 5.066 HB2 :: 2.933 HB3 :: 3.268 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 :: 130.007 Ave N Shift Values>> N :: 120.79(4.69) 1.I79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.61 C 0.37 C Shift Assignments>> C :: 174.481 CA :: 60.090 CB :: 41.578 CG1 :: 27.841 CG2 :: 17.732 CD1 :: 13.547 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 :: 8.592 HA :: 5.004 HB :: 1.679 HG12 :: 0.779 HG13 :: 1.272 HG21 :: 0.744 HG22 :: 0.744 HG23 :: 0.744 HD11 :: 0.114 HD12 :: 0.114 HD13 :: 0.114 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 :: 118.107 Ave N Shift Values>> N :: 121.6(4.72) 1.D80 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> D 0.26 L 0.17 C 0.12 F 0.1 N 0.1 K 0.1 Y 0.09 R 0.01 C Shift Assignments>> C :: 175.337 CA :: 54.702 CB :: 40.800 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 :: 10.596(S) HA :: 4.627 HB2 :: 2.281 HB3 :: 3.411 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 130.742 Ave N Shift Values>> N :: 120.73(4.2) 1.G81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 L 0.08 C 0.08 R 0.02 C Shift Assignments>> C :: 178.210 CA :: 45.476 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.552 HA2 :: 3.603 HA3 :: 4.198 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 103.922 Ave N Shift Values>> N :: 109.91(4.29) 1.E82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 M 0.33 E 0.17 Q 0.03 C Shift Assignments>> C :: 176.195 CA :: 54.152 CB :: 32.645 CG :: 35.852 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 :: 7.863 HA :: 4.868 HB2 :: 1.944 HB3 :: 2.073 HG2 :: 2.243 HG3 :: 2.357 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 :: 119.018 Ave N Shift Values>> N :: 120.68(3.68) 1.F83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.26 C 0.23 F 0.19 I 0.15 E 0.09 D 0.01 M 0.01 C Shift Assignments>> C :: 177.434 CA :: 58.480 CB :: 38.143 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 :: 9.040 HA :: 3.033 HB2 :: 2.659 HB3 :: 2.788 HD1 :: 6.729 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 :: 126.468 Ave N Shift Values>> N :: 120.69(4.18) 1.F84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.24 Y 0.18 C 0.16 K 0.15 I 0.11 L 0.06 R 0.05 D 0.01 C Shift Assignments>> CA :: 59.530 CB :: 41.343 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 :: 9.067 HA :: 4.123 HB2 :: 2.432 HB3 :: 2.715 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 :: 131.329 Ave N Shift Values>> N :: 120.69(4.18) 1.G85 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.78 L 0.08 C 0.07 R 0.03 C Shift Assignments>> CA :: 45.400 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 5.958 HA2 :: 2.529(S) HA3 :: 3.464 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 99.007 Ave N Shift Values>> N :: 109.91(4.29) 1.G86 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.C87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.49 I 0.38 C 0.06 W 0.01 R 0.01 C Shift Assignments>> CA :: 63.458 CB :: 27.107 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> HA :: 3.867 HB2 :: 2.573 HB3 :: 3.130 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) 1.D88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> F 0.27 Y 0.26 C 0.19 I 0.12 L 0.04 D 0.04 K 0.02 E 0.01 C Shift Assignments>> C :: 172.029 CA :: 58.386 CB :: 39.682 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>> HA :: 4.416 HB2 :: 2.798 HB3 :: 2.798 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) 1.I89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.89 C 0.1 C Shift Assignments>> C :: 173.255 CA :: 64.327 CB :: 38.809 CG1 :: 29.804 CG2 :: 17.170 CD1 :: 13.617 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.392 HA :: 3.772 HB :: 1.338 HG12 :: 1.164 HG13 :: 1.612 HG21 :: 0.587 HG22 :: 0.587 HG23 :: 0.587 HD11 :: 0.811 HD12 :: 0.811 HD13 :: 0.811 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 119.979 Ave N Shift Values>> N :: 121.6(4.72) 1.T90 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.9 C 0.09 HN Overlap>> 1.K13 1.K13 C Shift Assignments>> C :: 175.646 CA :: 69.328(A) CB :: 67.296 CG2 :: 21.951 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 :: 7.814 HA :: 3.837 HB :: 4.321 HG21 :: 1.055 HG22 :: 1.055 HG23 :: 1.055 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 :: 119.178 Ave N Shift Values>> N :: 115.7(5.05) 1.V91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.95 C 0.04 C Shift Assignments>> CA :: 67.376 CB :: 31.671 CG1 :: 21.441 CG2 :: 23.902 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 :: 8.924 HA :: 3.575 HB :: 2.275 HG11 :: 1.039 HG12 :: 1.039 HG13 :: 1.039 HG21 :: 1.092 HG22 :: 1.092 HG23 :: 1.092 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 :: 122.446 Ave N Shift Values>> N :: 121.02(4.96) 1.E92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.33 C 0.33 I 0.18 K 0.08 Q 0.03 M 0.02 HN Overlap>> 1.K105 1.K105 C Shift Assignments>> C :: 172.239 CA :: 59.077 CB :: 29.267 CG :: 36.252 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 :: 7.960 HA :: 4.077 HB2 :: 2.133 HB3 :: 2.133 HG2 :: 2.228 HG3 :: 2.428 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 :: 118.931 Ave N Shift Values>> N :: 120.68(3.68) 1.A93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.62 M 0.32 C 0.03 HN Overlap>> 1.K19 1.K19 C Shift Assignments>> C :: 171.257 CA :: 53.701 CB :: 19.110 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.501 HA :: 4.702 HB1 :: 1.739 HB2 :: 1.739 HB3 :: 1.739 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.609 Ave N Shift Values>> N :: 123.23(3.7) 1.Y94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.25 I 0.23 F 0.21 C 0.21 E 0.05 C Shift Assignments>> C :: 172.793 CA :: 59.468 CB :: 38.439 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 :: 8.881 HA :: 4.655 HB2 :: 3.136 HB3 :: 3.421 HD1 :: 7.015 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 123.906 Ave N Shift Values>> N :: 120.79(4.69) 1.K95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.39 C 0.37 R 0.2 M 0.01 HN Overlap>> 1.L43 1.L60 1.L43 1.L60 C Shift Assignments>> C :: 172.980 CA :: 59.543 CB :: 32.600 CG :: 25.595 CD :: 29.434 CE :: 42.023 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 :: 8.105 HA :: 3.817 HB2 :: 1.957 HB3 :: 1.908 HG2 :: 1.821 HG3 :: 1.509 HD2 :: 1.709 HD3 :: 1.709 HE2 :: 2.943 HE3 :: 2.990 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 :: 119.665 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.S96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.581 CA :: 59.122 CB :: 64.188 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.248 HA :: 4.417 HB2 :: 3.991 HB3 :: 4.193 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 112.138 Ave N Shift Values>> N :: 116.3(3.95) 1.G97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.76 L 0.09 C 0.08 R 0.04 C Shift Assignments>> C :: 177.029 CA :: 45.254 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.456 HA2 :: 3.876 HA3 :: 4.471 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.668 Ave N Shift Values>> N :: 109.91(4.29) 1.E98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.36 I 0.14 M 0.06 K 0.03 Q 0.01 C Shift Assignments>> C :: 172.823 CA :: 59.037 CB :: 30.595 CG :: 36.545 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 :: 8.385 HA :: 4.149 HB2 :: 2.072 HB3 :: 2.072 HG2 :: 2.261 HG3 :: 2.440 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 :: 123.380 Ave N Shift Values>> N :: 120.68(3.68) 1.L99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 L 0.23 R 0.18 K 0.04 HN Overlap>> 1.T10 1.T10 C Shift Assignments>> C :: 174.235 CA :: 57.932 CB :: 41.080 CG :: 26.686 CD1 :: 28.251 CD2 :: 23.320 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 :: 7.932 HA :: 3.714 HB2 :: 1.181 HB3 :: 1.725 HG :: 1.196 HD11 :: 0.729 HD12 :: 0.729 HD13 :: 0.729 HD21 :: 0.230 HD22 :: 0.230 HD23 :: 0.230 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 120.067 Ave N Shift Values>> N :: 121.98(4.07) 1.Q100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 Q 0.17 K 0.17 I 0.08 E 0.08 R 0.06 P 0.05 C Shift Assignments>> C :: 173.575 CA :: 60.125 CB :: 27.623 CG :: 34.050 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 :: 9.618 HA :: 3.705 HB2 :: 1.983 HB3 :: 2.093 HG2 :: 2.300 HG3 :: 2.619 HE21 :: 7.615 HE22 :: 6.856 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 :: 119.079 NE2 :: 111.507 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.E101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.34 C 0.33 I 0.18 K 0.06 M 0.03 Q 0.02 C Shift Assignments>> C :: 172.565 CA :: 59.443 CB :: 29.698 CG :: 36.250 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 :: 7.383 HA :: 4.065 HB2 :: 2.129 HB3 :: 2.129 HG2 :: 2.221 HG3 :: 2.416 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 117.378 Ave N Shift Values>> N :: 120.68(3.68) 1.Q102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 Q 0.23 K 0.22 E 0.09 R 0.07 I 0.03 M 0.01 C Shift Assignments>> C :: 172.274 CA :: 58.958 CB :: 28.046 CG :: 33.892 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 :: 8.086 HA :: 4.069 HB2 :: 2.040 HB3 :: 2.040 HG2 :: 2.583 HG3 :: 2.437 HE21 :: 7.648 HE22 :: 6.938 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 :: 118.467 NE2 :: 112.309 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.V103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.96 C 0.03 C Shift Assignments>> C :: 174.438 CA :: 66.969 CB :: 31.518 CG1 :: 22.800 CG2 :: 21.671 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 :: 8.573 HA :: 3.443 HB :: 2.046 HG11 :: 0.747 HG12 :: 0.747 HG13 :: 0.747 HG21 :: 0.833 HG22 :: 0.833 HG23 :: 0.833 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 :: 119.674 Ave N Shift Values>> N :: 121.02(4.96) 1.E104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.32 I 0.2 K 0.08 Q 0.03 M 0.02 C Shift Assignments>> C :: 172.418 CA :: 59.550 CB :: 29.305 CG :: 36.139 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 :: 8.225 HA :: 4.006 HB2 :: 2.043 HB3 :: 2.140 HG2 :: 2.425 HG3 :: 2.425 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 :: 119.260 Ave N Shift Values>> N :: 120.68(3.68) 1.K105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.41 C 0.38 R 0.17 M 0.02 HN Overlap>> 1.E92 1.E92 C Shift Assignments>> C :: 172.707 CA :: 59.077 CB :: 32.645 CG :: 25.066 CD :: 29.362 CE :: 42.022 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.911 HA :: 4.081 HB2 :: 1.914 HB3 :: 1.914 HG2 :: 1.472 HG3 :: 1.588 HD2 :: 1.706 HD3 :: 1.706 HE2 :: 2.942 HE3 :: 2.986 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 118.912 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.A106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.55 M 0.39 C 0.02 I 0.01 C Shift Assignments>> C :: 172.590 CA :: 54.146 CB :: 18.754 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.798 HA :: 4.231 HB1 :: 1.481 HB2 :: 1.481 HB3 :: 1.481 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.495 Ave N Shift Values>> N :: 123.23(3.7) 1.M107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.41 C 0.37 Q 0.12 K 0.05 E 0.02 C Shift Assignments>> C :: 173.968 CA :: 56.294 CB :: 32.424 CG :: 32.096 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 :: 8.023 HA :: 4.467 HB2 :: 2.824 HB3 :: 2.224 HG2 :: 2.736 HG3 :: 2.831 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 :: 114.483 Ave N Shift Values>> N :: 120.1(3.88) 1.C108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.15 C 0.13 R 0.12 W 0.12 K 0.11 Q 0.1 E 0.09 H 0.07 L 0.03 M 0.01 C Shift Assignments>> C :: 177.382 CA :: 59.204 CB :: 28.144 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.752 HA :: 4.643 HB2 :: 3.040 HB3 :: 3.040 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 :: 117.310 Ave N Shift Values>> N :: 119.95(4.79) 1.S109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.96 T 0.03 C Shift Assignments>> CA :: 60.283 CB :: 65.047 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.749 HA :: 4.330 HB2 :: 3.945 HB3 :: 3.945 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 123.236 Ave N Shift Values>> N :: 116.3(3.95) 2.GSH1 Overall Status: Residue type GSH not supported. 3.FES1 Overall Status: Residue type FES not supported. ########################################################################### Overall Results: #Consistent: 100 #Clerical: 0 #Suspicious: 7 #Anomalous: 1 #Mistyped: 1 #Indeterminable: 0 Typing Results: #Consistent: 102 #Suspicious: 0 #Mistyped: 1 #Indeterminable: 6 Shift Relative Order (SRO) Results: #Consistent: 108 #Suspicious: 1 C Shift Results: #Consistent: 405 #Duplicate: 0 #Unknown: 0 #Suspicious: 2 #Anomalous: 2 H Shift Results: #Consistent: 681 #Duplicate: 0 #Unknown: 0 #Suspicious: 9 #Anomalous: 0 N Shift Results: #Consistent: 97 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.L11 HB2 = 0.095(S), Expected = 1.63, Std = 0.3400, ChiSquare = 6.3405e-06 1.G26 C = 180.433(S), Expected = 174.04, Std = 1.9400, ChiSquare = 9.8295e-04 1.K28 HE2 = 2.129(S), Expected = 2.93, Std = 0.2000, ChiSquare = 6.2017e-05 1.E51 HB2 = 1.160(S), Expected = 2.04, Std = 0.2200, ChiSquare = 6.3342e-05 1.E51 HG2 = 1.539(S), Expected = 2.31, Std = 0.2100, ChiSquare = 2.4120e-04 1.I55 HG12 = -0.020(S), Expected = 1.30, Std = 0.4000, ChiSquare = 9.6685e-04 1.R62 Typing: Mistyped 1.R62 CG = 36.685(S), Expected = 27.31, Std = 1.6500, ChiSquare = 1.3327e-08 1.R62 CD = 29.289(A), Expected = 43.10, Std = 1.1000, ChiSquare = 3.7104e-36 1.R62 HD2 = 2.129(S), Expected = 3.13, Std = 0.2300, ChiSquare = 1.3479e-05 1.R62 HD3 = 2.129(S), Expected = 3.13, Std = 0.2200, ChiSquare = 5.3646e-06 1.R62 SRO Rule Break>> HD2 > HG2 : 0.997606701236538 1.R62 SRO Rule Break>> HD3 > HG2 : 0.997402597402597 1.R62 SRO Rule Break>> HD2 > HG3 : 0.998289867464728 1.R62 SRO Rule Break>> HD3 > HG3 : 0.998244844229925 1.R62 SRO Rule Break>> CD > CB : 0.997838616714697 1.R62 SRO Rule Break>> CD > CG : 0.998466257668712 1.D80 H = 10.596(S), Expected = 8.33, Std = 0.5700, ChiSquare = 7.0250e-05 1.G85 HA2 = 2.529(S), Expected = 3.95, Std = 0.4000, ChiSquare = 3.8159e-04 1.T90 CA = 69.328(A), Expected = 62.15, Std = 2.7200, ChiSquare = 8.3158e-03