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: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.K8 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 175.072 CA :: 58.875 CB :: 63.701 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> HA :: 4.427 HB2 :: 3.874 HB3 :: 3.874 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) 1.I10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.7 C 0.29 C Shift Assignments>> C :: 176.450 CA :: 61.831 CB :: 38.623 CG1 :: 27.596 CG2 :: 17.478 CD1 :: 13.002 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.129 HA :: 4.129 HB :: 1.882 HG12 :: 1.480 HG13 :: 1.197 HG21 :: 0.906 HG22 :: 0.906 HG23 :: 0.906 HD11 :: 0.859 HD12 :: 0.859 HD13 :: 0.859 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 123.240 Ave N Shift Values>> N :: 121.46(4.28) 1.R11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> R 0.47 C 0.4 G 0.06 K 0.05 C Shift Assignments>> C :: 176.625 CA :: 56.856 CB :: 30.604 CG :: 27.176 CD :: 43.372 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> HA :: 4.272 HB2 :: 1.840 HB3 :: 1.790 HG2 :: 1.659 HG3 :: 1.577 HD2 :: 3.202 HD3 :: 3.202 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) 1.L12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.6 C 0.3 R 0.05 G 0.01 A 0.01 C Shift Assignments>> C :: 177.682 CA :: 55.722 CB :: 42.331 CG :: 27.251 CD1 :: 25.009 CD2 :: 23.502 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.276 HA :: 4.289 HB2 :: 1.677 HB3 :: 1.603 HG :: 1.654 HD11 :: 0.930 HD12 :: 0.930 HD13 :: 0.930 HD21 :: 0.880 HD22 :: 0.880 HD23 :: 0.880 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 123.110 Ave N Shift Values>> N :: 121.86(3.9) 1.A13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.77 M 0.19 C 0.02 HN Overlap>> 1.V91 1.V91 C Shift Assignments>> C :: 178.721 CA :: 53.418 CB :: 18.873 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.187 HA :: 4.251 HB1 :: 1.437 HB2 :: 1.437 HB3 :: 1.437 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.326 Ave N Shift Values>> N :: 123.23(3.54) 1.K14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.43 C 0.42 R 0.13 C Shift Assignments>> C :: 177.885 CA :: 57.391 CB :: 32.501 CG :: 24.759 CD :: 29.014 CE :: 42.068 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.261 HA :: 4.235 HB2 :: 1.854 HB3 :: 1.854 HG2 :: 1.482 HG3 :: 1.482 HD2 :: 1.708 HD3 :: 1.708 HE2 :: 2.975 HE3 :: 2.975 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.130 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.39 C 0.36 I 0.09 K 0.07 Q 0.03 M 0.03 C Shift Assignments>> C :: 177.894 CA :: 58.191 CB :: 29.730 CG :: 36.393 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.433 HA :: 4.190 HB2 :: 2.069 HB3 :: 2.069 HG2 :: 2.301 HG3 :: 2.301 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.265 Ave N Shift Values>> N :: 120.67(3.48) 1.K16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 K 0.43 R 0.12 C Shift Assignments>> C :: 177.564 CA :: 58.102 CB :: 32.501 CG :: 25.016 CD :: 29.014 CE :: 42.068 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.201 HA :: 4.200 HB2 :: 1.854 HB3 :: 1.854 HG2 :: 1.439 HG3 :: 1.439 HD2 :: 1.665 HD3 :: 1.665 HE2 :: 2.986 HE3 :: 2.986 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.607 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.38 C 0.38 I 0.11 K 0.05 M 0.03 Q 0.02 C Shift Assignments>> C :: 177.515 CA :: 58.578 CB :: 29.821 CG :: 36.585 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.254 HA :: 4.089 HB2 :: 2.114 HB3 :: 2.085 HG2 :: 2.321 HG3 :: 2.321 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.409 Ave N Shift Values>> N :: 120.67(3.48) 1.S18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.489 CA :: 59.910 CB :: 63.588 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.359 HA :: 4.463 HB2 :: 3.886 HB3 :: 3.886 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.644 Ave N Shift Values>> N :: 116.28(3.52) 1.Q19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 Q 0.26 K 0.25 E 0.08 R 0.04 I 0.02 M 0.01 C Shift Assignments>> C :: 177.554 CA :: 58.326 CB :: 28.669 CG :: 34.042 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.214 HA :: 4.337 HB2 :: 2.217 HB3 :: 2.217 HG2 :: 2.564 HG3 :: 2.475 HE21 :: 7.454 HE22 :: 6.832 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 123.760 NE2 :: 111.079 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.A20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.49 M 0.41 C 0.04 I 0.03 V 0.01 C Shift Assignments>> C :: 180.569 CA :: 55.212 CB :: 18.873 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.481 HA :: 4.151 HB1 :: 1.505 HB2 :: 1.505 HB3 :: 1.505 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.050 Ave N Shift Values>> N :: 123.23(3.54) 1.D21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.26 Y 0.23 D 0.13 L 0.12 C 0.11 I 0.05 K 0.04 N 0.03 HN Overlap>> 1.N75 1.N75 C Shift Assignments>> C :: 178.325 CA :: 57.123 CB :: 40.272 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.420 HA :: 4.420 HB2 :: 2.843 HB3 :: 2.720 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 120.188 Ave N Shift Values>> N :: 120.65(3.86) 1.Y22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.64 C 0.35 HN Overlap>> 1.F40 1.F40 C Shift Assignments>> C :: 178.553 CA :: 60.903 CB :: 38.221 CD1 :: 133.309 CD2 :: 133.309 CE1 :: 118.324 CE2 :: 118.324 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.093 HA :: 4.461 HB2 :: 3.318 HB3 :: 3.193 HD1 :: 7.240 HD2 :: 7.240 HE1 :: 6.870 HE2 :: 6.870 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 121.580 Ave N Shift Values>> N :: 120.52(4.2) 1.I23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.8 C 0.19 C Shift Assignments>> C :: 177.180 CA :: 64.349 CB :: 38.475 CG1 :: 29.954 CG2 :: 17.800 CD1 :: 13.819 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.576 HA :: 3.694 HB :: 1.849 HG12 :: 1.970 HG13 :: 1.357 HG21 :: 0.740 HG22 :: 0.740 HG23 :: 0.740 HD11 :: 0.973 HD12 :: 0.973 HD13 :: 0.973 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 122.215 Ave N Shift Values>> N :: 121.46(4.28) 1.S24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.661 CA :: 60.351 CB :: 63.555 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.786 HA :: 4.450 HB2 :: 4.111 HB3 :: 4.111 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 113.180 Ave N Shift Values>> N :: 116.28(3.52) 1.T25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.95 C 0.04 C Shift Assignments>> C :: 175.173 CA :: 63.857 CB :: 70.450 CG2 :: 21.517 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.731 HA :: 4.259 HB :: 4.176 HG21 :: 1.256 HG22 :: 1.256 HG23 :: 1.256 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 112.361 Ave N Shift Values>> N :: 115.42(4.75) 1.Y26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.67 C 0.32 C Shift Assignments>> C :: 174.169 CA :: 57.494 CB :: 40.544 CD1 :: 133.915 CD2 :: 133.915 CE1 :: 118.329 CE2 :: 118.329 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 7.599 HA :: 4.999 HB2 :: 3.175 HB3 :: 2.735 HD1 :: 6.820 HD2 :: 6.820 HE1 :: 6.573 HE2 :: 6.573 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 117.269 Ave N Shift Values>> N :: 120.52(4.2) 1.V27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 V 0.46 C Shift Assignments>> C :: 172.364 CA :: 60.725 CB :: 34.774 CG1 :: 22.536 CG2 :: 20.391 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.920 HA :: 4.680 HB :: 1.750 HG11 :: 0.551 HG12 :: 0.551 HG13 :: 0.551 HG21 :: 0.564 HG22 :: 0.564 HG23 :: 0.564 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 123.171 Ave N Shift Values>> N :: 121.14(4.54) 1.E28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.79 M 0.12 E 0.07 C Shift Assignments>> C :: 174.618 CA :: 55.034 CB :: 33.872 CG :: 37.430 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.933 HA :: 4.664 HB2 :: 1.945 HB3 :: 1.770 HG2 :: 2.287 HG3 :: 2.001 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 128.265 Ave N Shift Values>> N :: 120.67(3.48) 1.W29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.75 W 0.24 C Shift Assignments>> C :: 177.594 CA :: 58.154 CB :: 29.745 CD1 :: 128.384 CE3 :: 119.238 CZ2 :: 114.299 CZ3 :: 123.290 CH2 :: 120.805 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 9.439 HA :: 5.265 HB2 :: 3.340 HB3 :: 3.179 HD1 :: 7.290 HE1 :: 10.648 HE3 :: 7.168 HZ2 :: 6.888 HZ3 :: 6.901 HH2 :: 6.699 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 127.349 NE1 :: 129.705 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.Q30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.55 C 0.38 Q 0.05 E 0.01 C Shift Assignments>> C :: 174.697 CA :: 53.851 CB :: 33.528 CG :: 33.155 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 9.549 HA :: 5.161 HB2 :: 1.810 HB3 :: 1.731 HG2 :: 2.212 HG3 :: 2.177 HE21 :: 7.405 HE22 :: 6.271 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 121.847 NE2 :: 110.709 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Y31 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> Y 0.75 C 0.24 C Shift Assignments>> C :: 173.359 CA :: 55.014 CB :: 40.426 CD1 :: 132.934 CD2 :: 132.934 CE1 :: 116.947 CE2 :: 116.947 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.593 HA :: 5.678 HB2 :: 2.550 HB3 :: 2.419 HD1 :: 5.329(S) HD2 :: 5.329(S) HE1 :: 5.823(S) HE2 :: 5.823(S) Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 116.108 Ave N Shift Values>> N :: 120.52(4.2) SRO Rule Breaks>> (HD1 > HA : 1.0000) (HD2 > HA : 1.0000) 1.I32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.63 C 0.36 C Shift Assignments>> C :: 175.287 CA :: 60.832 CB :: 40.052 CG1 :: 27.921 CG2 :: 17.893 CD1 :: 13.684 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.687 HA :: 4.569 HB :: 1.742 HG12 :: 1.225 HG13 :: 0.984 HG21 :: 0.722 HG22 :: 0.722 HG23 :: 0.722 HD11 :: 0.658 HD12 :: 0.658 HD13 :: 0.658 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 121.294 Ave N Shift Values>> N :: 121.46(4.28) 1.D33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.32 D 0.21 R 0.19 G 0.08 C 0.04 K 0.04 F 0.03 N 0.02 Y 0.01 C Shift Assignments>> C :: 176.062 CA :: 52.766 CB :: 43.151 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.434 HA :: 5.025 HB2 :: 2.689 HB3 :: 2.373 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 127.340 Ave N Shift Values>> N :: 120.65(3.86) 1.K34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 K 0.35 R 0.14 C Shift Assignments>> C :: 175.534 CA :: 58.539 CB :: 29.903 CG :: 24.722 CD :: 29.207 CE :: 42.068 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.933 HA :: 3.840 HB2 :: 2.024 HB3 :: 1.832 HG2 :: 1.590 HG3 :: 1.443 HD2 :: 1.782 HD3 :: 1.695 HE2 :: 3.061 HE3 :: 3.061 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 122.888 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.N35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.38 D 0.15 Y 0.12 C 0.12 F 0.11 L 0.05 E 0.01 M 0.01 I 0.01 C Shift Assignments>> C :: 174.249 CA :: 54.355 CB :: 38.626 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.506 HA :: 4.407 HB2 :: 2.938 HB3 :: 2.938 HD21 :: 6.902 HD22 :: 7.568 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 113.198 ND2 :: 113.204 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.I36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.62 C 0.37 C Shift Assignments>> C :: 175.260 CA :: 60.119 CB :: 39.543 CG1 :: 26.983 CG2 :: 17.329 CD1 :: 12.317 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.051 HA :: 4.344 HB :: 1.969 HG12 :: 1.491 HG13 :: 1.188 HG21 :: 0.806 HG22 :: 0.806 HG23 :: 0.806 HD11 :: 0.821 HD12 :: 0.821 HD13 :: 0.821 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 121.825 Ave N Shift Values>> N :: 121.46(4.28) 1.T37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.91 C 0.08 HN Overlap>> 1.D67 1.D67 C Shift Assignments>> C :: 173.561 CA :: 62.250 CB :: 69.566 CG2 :: 21.680 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.437 HA :: 4.372 HB :: 3.760 HG21 :: 0.835 HG22 :: 0.835 HG23 :: 0.835 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 123.499 Ave N Shift Values>> N :: 115.42(4.75) 1.Q38 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> M 0.48 C 0.25 Q 0.2 K 0.04 E 0.01 C Shift Assignments>> C :: 173.948 CA :: 53.344 CB :: 31.366 CG :: 33.172 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.429 HA :: 4.405 HB2 :: 1.140(S) HB3 :: 0.540(S) HG2 :: 1.899 HG3 :: 1.899 HE21 :: 7.240 HE22 :: 6.816 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 125.215 NE2 :: 112.607 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.C39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.15 K 0.14 W 0.13 Q 0.13 E 0.11 R 0.1 H 0.09 I 0.07 L 0.03 M 0.01 C Shift Assignments>> C :: 175.957 CA :: 58.126 CB :: 28.344 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.525 HA :: 4.664 HB2 :: 3.084 HB3 :: 2.935 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 119.326 Ave N Shift Values>> N :: 120.17(4.64) 1.F40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.71 C 0.28 HN Overlap>> 1.Y22 1.Y22 C Shift Assignments>> C :: 176.308 CA :: 59.929 CB :: 40.365 CD1 :: 132.214 CD2 :: 132.214 CE1 :: 131.226 CE2 :: 131.226 CZ :: 128.592 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.119 HA :: 4.711 HB2 :: 3.181 HB3 :: 2.705 HD1 :: 7.341 HD2 :: 7.341 HE1 :: 6.969 HE2 :: 6.969 HZ :: 6.640 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 121.483 Ave N Shift Values>> N :: 120.45(4.18) 1.D41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.34 L 0.22 N 0.13 K 0.09 F 0.07 Y 0.05 C 0.05 R 0.01 C Shift Assignments>> C :: 175.384 CA :: 53.730 CB :: 41.194 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.889 HA :: 4.608 HB2 :: 3.177 HB3 :: 2.891 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 119.793 Ave N Shift Values>> N :: 120.65(3.86) 1.K42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 K 0.41 R 0.08 C Shift Assignments>> C :: 179.733 CA :: 60.328 CB :: 32.680 CG :: 25.290 CD :: 29.691 CE :: 42.068 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.697 HA :: 4.170 HB2 :: 1.978 HB3 :: 1.853 HG2 :: 1.590 HG3 :: 1.563 HD2 :: 1.749 HD3 :: 1.749 HE2 :: 3.026 HE3 :: 3.026 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 119.059 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.M43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 M 0.41 A 0.02 C Shift Assignments>> C :: 179.241 CA :: 57.512 CB :: 30.225 CG :: 32.398 CE :: 16.733 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.494 HA :: 4.498 HB2 :: 2.255 HB3 :: 2.069 HG2 :: 2.783 HG3 :: 2.660 HE1 :: 2.071 HE2 :: 2.071 HE3 :: 2.071 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 119.585 Ave N Shift Values>> N :: 120.09(3.57) 1.T44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.76 C 0.23 C Shift Assignments>> C :: 175.208 CA :: 67.220 CB :: 67.255 CG2 :: 23.458 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.602 HA :: 3.688 HB :: 4.081 HG21 :: 0.810 HG22 :: 0.810 HG23 :: 0.810 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 121.460 Ave N Shift Values>> N :: 115.42(4.75) 1.N45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.28 Y 0.25 C 0.11 L 0.11 D 0.09 I 0.06 K 0.05 N 0.01 C Shift Assignments>> C :: 175.578 CA :: 57.694 CB :: 40.434 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.998 HA :: 4.020 HB2 :: 2.918 HB3 :: 2.918 HD21 :: 7.872 HD22 :: 6.621 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 120.627 ND2 :: 112.498 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.M46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 M 0.41 C Shift Assignments>> C :: 175.965 CA :: 59.117 CB :: 32.054 CG :: 31.921 CE :: 17.810 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 7.350 HA :: 4.085 HB2 :: 2.411 HB3 :: 2.147 HG2 :: 2.577 HG3 :: 2.486 HE1 :: 2.182 HE2 :: 2.182 HE3 :: 2.182 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 114.959 Ave N Shift Values>> N :: 120.09(3.57) 1.K47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 K 0.37 R 0.12 G 0.01 C Shift Assignments>> C :: 179.981 CA :: 60.041 CB :: 32.948 CG :: 25.372 CD :: 29.964 CE :: 42.209 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.709 HA :: 3.812 HB2 :: 1.840 HB3 :: 1.840 HG2 :: 1.509 HG3 :: 1.300 HD2 :: 1.696 HD3 :: 1.614 HE2 :: 3.015 HE3 :: 2.945 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 119.908 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L48 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.58 L 0.4 C Shift Assignments>> C :: 176.701 CA :: 57.851 CB :: 39.135 CG :: 26.446 CD1 :: 25.930 CD2 :: 22.936 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.989 HA :: 3.276 HB2 :: 0.451(S) HB3 :: -1.077(S) HG :: 0.670 HD11 :: -0.428(S) HD12 :: -0.428(S) HD13 :: -0.428(S) HD21 :: -0.064 HD22 :: -0.064 HD23 :: -0.064 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.104 Ave N Shift Values>> N :: 121.86(3.9) 1.E49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.32 Q 0.25 K 0.23 E 0.09 M 0.04 I 0.01 R 0.01 C Shift Assignments>> C :: 179.399 CA :: 58.814 CB :: 29.583 CG :: 33.977 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.711 HA :: 4.901 HB2 :: 2.249 HB3 :: 2.020 HG2 :: 2.520 HG3 :: 2.447 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.700 Ave N Shift Values>> N :: 120.67(3.48) 1.V50 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 :: 179.496 CA :: 66.644 CB :: 31.778 CG1 :: 22.966 CG2 :: 20.988 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.692 HA :: 3.716 HB :: 2.119 HG11 :: 1.105 HG12 :: 1.105 HG13 :: 1.105 HG21 :: 0.967 HG22 :: 0.967 HG23 :: 0.967 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 118.598 Ave N Shift Values>> N :: 121.14(4.54) 1.A51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.57 A 0.35 I 0.04 C 0.02 C Shift Assignments>> C :: 178.624 CA :: 55.252 CB :: 17.995 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.561 HA :: 4.066 HB1 :: 1.359 HB2 :: 1.359 HB3 :: 1.359 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.206 Ave N Shift Values>> N :: 123.23(3.54) 1.W52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.6 C 0.39 C Shift Assignments>> C :: 181.495 CA :: 61.947 CB :: 29.866 CD1 :: 127.283 CE3 :: 120.724 CZ2 :: 114.175 CZ3 :: 122.202 CH2 :: 124.487 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 9.117 HA :: 4.240 HB2 :: 3.969 HB3 :: 3.600 HD1 :: 7.563 HE1 :: 10.160 HE3 :: 7.727 HZ2 :: 7.461 HZ3 :: 7.220 HH2 :: 7.189 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 120.568 NE1 :: 129.455 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.K53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 K 0.41 R 0.14 C Shift Assignments>> C :: 177.920 CA :: 58.996 CB :: 32.502 CG :: 25.673 CD :: 29.259 CE :: 42.068 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 9.287 HA :: 3.730 HB2 :: 2.177 HB3 :: 1.956 HG2 :: 1.961 HG3 :: 1.751 HD2 :: 1.865 HD3 :: 1.865 HE2 :: 3.168 HE3 :: 3.168 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 121.687 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.87 M 0.1 C 0.01 C Shift Assignments>> C :: 176.097 CA :: 52.031 CB :: 18.767 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.560 HA :: 4.292 HB1 :: 1.495 HB2 :: 1.495 HB3 :: 1.495 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.088 Ave N Shift Values>> N :: 123.23(3.54) 1.K55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 R 0.33 K 0.13 L 0.08 G 0.01 C Shift Assignments>> C :: 176.819 CA :: 56.619 CB :: 28.264 CG :: 24.598 CD :: 28.659 CE :: 42.303 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.778 HA :: 3.810 HB2 :: 2.001 HB3 :: 1.811 HG2 :: 1.219 HG3 :: 1.121 HD2 :: 1.533 HD3 :: 1.506 HE2 :: 2.843 HE3 :: 2.843 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 114.660 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.44 C 0.33 R 0.21 C Shift Assignments>> C :: 176.837 CA :: 55.769 CB :: 32.632 CG :: 25.331 CD :: 28.460 CE :: 42.204 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.849 HA :: 4.213 HB2 :: 1.949 HB3 :: 1.582 HG2 :: 1.600 HG3 :: 1.578 HD2 :: 1.730 HD3 :: 1.730 HE2 :: 3.018 HE3 :: 3.018 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 117.758 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 K 0.44 R 0.1 C Shift Assignments>> C :: 176.669 CA :: 58.326 CB :: 33.154 CG :: 24.952 CD :: 29.008 CE :: 42.261 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.585 HA :: 4.134 HB2 :: 1.841 HB3 :: 1.841 HG2 :: 1.535 HG3 :: 1.473 HD2 :: 1.719 HD3 :: 1.719 HE2 :: 3.039 HE3 :: 3.039 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.600 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.34 L 0.28 R 0.15 D 0.12 C 0.04 F 0.01 N 0.01 Y 0.01 C Shift Assignments>> C :: 174.610 CA :: 52.322 CB :: 43.840 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.629 HA :: 5.432 HB2 :: 2.810 HB3 :: 2.539 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 113.076 Ave N Shift Values>> N :: 120.65(3.86) 1.T59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.74 C 0.25 C Shift Assignments>> C :: 171.236 CA :: 61.570 CB :: 69.107 CG2 :: 19.035 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.129 HA :: 4.506 HB :: 3.939 HG21 :: 0.711 HG22 :: 0.711 HG23 :: 0.711 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 111.427 Ave N Shift Values>> N :: 115.42(4.75) 1.V60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.61 C 0.38 C Shift Assignments>> C :: 176.036 CA :: 61.570 CB :: 33.797 CG1 :: 21.520 CG2 :: 20.882 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.988 HA :: 5.104 HB :: 1.789 HG11 :: 0.902 HG12 :: 0.902 HG13 :: 0.902 HG21 :: 0.757 HG22 :: 0.757 HG23 :: 0.757 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 125.781 Ave N Shift Values>> N :: 121.14(4.54) 1.V61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.88 V 0.08 A 0.03 C Shift Assignments>> C :: 173.430 CA :: 58.146 CB :: 34.772 CG1 :: 21.761 CG2 :: 17.978 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.908 HA :: 4.664 HB :: 1.961 HG11 :: 0.438 HG12 :: 0.438 HG13 :: 0.438 HG21 :: 0.499 HG22 :: 0.499 HG23 :: 0.499 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 118.769 Ave N Shift Values>> N :: 121.14(4.54) 1.Q62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.24 Q 0.23 M 0.22 E 0.19 K 0.09 C Shift Assignments>> C :: 176.115 CA :: 55.486 CB :: 30.669 CG :: 34.741 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.261 HA :: 5.533 HB2 :: 2.050 HB3 :: 1.669 HG2 :: 2.291 HG3 :: 2.218 HE21 :: 6.672 HE22 :: 7.784 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 119.578 NE2 :: 113.646 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.I63 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.64 C 0.35 C Shift Assignments>> C :: 175.824 CA :: 61.138 CB :: 39.471 CG1 :: 26.886 CG2 :: 16.401 CD1 :: 11.706 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.720 HA :: 3.819 HB :: 1.099 HG12 :: 0.939 HG13 :: 0.200 HG21 :: -0.221(S) HG22 :: -0.221(S) HG23 :: -0.221(S) HD11 :: -0.549(S) HD12 :: -0.549(S) HD13 :: -0.549(S) Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 123.077 Ave N Shift Values>> N :: 121.46(4.28) 1.H64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.36 W 0.34 C 0.29 C Shift Assignments>> C :: 175.313 CA :: 56.812 CB :: 28.011 CD2 :: 119.247 CE1 :: 138.069 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 9.191 HA :: 4.291 HB2 :: 3.320 HB3 :: 3.283 HD2 :: 6.964 HE1 :: 8.035 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 124.785 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.N65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.31 C 0.17 Y 0.15 F 0.12 D 0.08 E 0.07 M 0.03 L 0.02 I 0.01 C Shift Assignments>> C :: 173.596 CA :: 54.832 CB :: 37.874 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.915 HA :: 4.219 HB2 :: 3.085 HB3 :: 2.972 HD21 :: 7.552 HD22 :: 6.872 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 109.755 ND2 :: 112.895 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.Q66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.49 C 0.35 Q 0.1 E 0.04 C Shift Assignments>> C :: 174.204 CA :: 54.398 CB :: 32.858 CG :: 34.272 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.900 HA :: 4.670 HB2 :: 2.111 HB3 :: 2.111 HG2 :: 2.259 HG3 :: 2.259 HE21 :: 6.959 HE22 :: 7.506 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 118.630 NE2 :: 112.128 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.D67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.29 L 0.2 F 0.12 N 0.09 Y 0.09 K 0.08 C 0.06 HN Overlap>> 1.T37 1.T37 C Shift Assignments>> C :: 176.066 CA :: 54.873 CB :: 40.881 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.421 HA :: 5.025 HB2 :: 2.503 HB3 :: 2.312 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 123.513 Ave N Shift Values>> N :: 120.65(3.86) 1.F68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.75 C 0.22 G 0.01 C Shift Assignments>> C :: 175.305 CA :: 56.814 CB :: 42.207 CD1 :: 131.560 CD2 :: 131.560 CE1 :: 132.310 CE2 :: 132.310 CZ :: 129.777 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 9.672 HA :: 4.640 HB2 :: 2.800 HB3 :: 2.300 HD1 :: 6.988 HD2 :: 6.988 HE1 :: 7.063 HE2 :: 7.063 HZ :: 7.099 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 123.452 Ave N Shift Values>> N :: 120.45(4.18) 1.T69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.93 C 0.06 C Shift Assignments>> C :: 174.733 CA :: 62.980 CB :: 69.107 CG2 :: 21.515 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.831 HA :: 4.579 HB :: 4.066 HG21 :: 1.090 HG22 :: 1.090 HG23 :: 1.090 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 118.391 Ave N Shift Values>> N :: 115.42(4.75) 1.V70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.62 C 0.37 C Shift Assignments>> C :: 173.851 CA :: 61.748 CB :: 32.190 CG1 :: 22.126 CG2 :: 21.481 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.550 HA :: 4.469 HB :: 1.859 HG11 :: 0.755 HG12 :: 0.755 HG13 :: 0.755 HG21 :: 0.621 HG22 :: 0.621 HG23 :: 0.621 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 130.700 Ave N Shift Values>> N :: 121.14(4.54) 1.D71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 L 0.28 K 0.11 R 0.08 N 0.06 F 0.05 C 0.04 Y 0.03 C Shift Assignments>> C :: 177.382 CA :: 53.187 CB :: 42.153 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.748 HA :: 4.960 HB2 :: 3.281 HB3 :: 2.539 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 127.382 Ave N Shift Values>> N :: 120.65(3.86) 1.L72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.52 C 0.44 R 0.02 C Shift Assignments>> C :: 177.620 CA :: 56.472 CB :: 40.891 CG :: 28.050 CD1 :: 25.702 CD2 :: 23.993 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.551 HA :: 4.420 HB2 :: 1.920 HB3 :: 1.920 HG :: 1.582 HD11 :: 0.749 HD12 :: 0.749 HD13 :: 0.749 HD21 :: 0.896 HD22 :: 0.896 HD23 :: 0.896 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 126.453 Ave N Shift Values>> N :: 121.86(3.9) 1.S73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.255 CA :: 60.652 CB :: 63.654 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.281 HA :: 4.709 HB2 :: 4.131 HB3 :: 4.040 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 116.468 Ave N Shift Values>> N :: 116.28(3.52) 1.T74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.89 C 0.1 C Shift Assignments>> C :: 175.419 CA :: 61.545 CB :: 70.302 CG2 :: 21.568 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.714 HA :: 4.539 HB :: 4.506 HG21 :: 1.213 HG22 :: 1.213 HG23 :: 1.213 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 110.069 Ave N Shift Values>> N :: 115.42(4.75) 1.N75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.26 C 0.23 M 0.12 N 0.12 Y 0.09 F 0.05 K 0.04 Q 0.02 I 0.01 HN Overlap>> 1.D21 1.D21 C Shift Assignments>> C :: 174.644 CA :: 55.211 CB :: 36.407 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.415 HA :: 4.416 HB2 :: 3.791 HB3 :: 3.090 HD21 :: 7.189 HD22 :: 6.384 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 120.122 ND2 :: 109.241 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.T76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.84 C 0.15 C Shift Assignments>> C :: 172.549 CA :: 61.664 CB :: 71.902 CG2 :: 21.503 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.750 HA :: 5.090 HB :: 4.021 HG21 :: 1.229 HG22 :: 1.229 HG23 :: 1.229 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 110.206 Ave N Shift Values>> N :: 115.42(4.75) 1.A77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.81 L 0.09 C 0.07 G 0.01 C Shift Assignments>> C :: 175.939 CA :: 49.723 CB :: 21.716 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.584 HA :: 5.630 HB1 :: 1.120 HB2 :: 1.120 HB3 :: 1.120 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 129.536 Ave N Shift Values>> N :: 123.23(3.54) 1.T78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.82 C 0.17 C Shift Assignments>> C :: 173.050 CA :: 61.369 CB :: 71.955 CG2 :: 21.528 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.888 HA :: 5.370 HB :: 3.965 HG21 :: 1.230 HG22 :: 1.230 HG23 :: 1.230 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 116.979 Ave N Shift Values>> N :: 115.42(4.75) 1.A79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.93 M 0.05 C 0.01 C Shift Assignments>> C :: 176.824 CA :: 49.689 CB :: 18.392 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.483 HA :: 4.631 HB1 :: 0.518 HB2 :: 0.518 HB3 :: 0.518 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 130.575 Ave N Shift Values>> N :: 123.23(3.54) 1.P80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.85 C 0.14 C Shift Assignments>> C :: 177.571 CA :: 65.032 CB :: 31.977 CG :: 27.745 CD :: 50.926 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.269 HB2 :: 2.382 HB3 :: 1.877 HG2 :: 2.099 HG3 :: 1.969 HD2 :: 3.804 HD3 :: 3.600 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.Q81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 Q 0.28 K 0.14 R 0.1 E 0.08 I 0.02 C Shift Assignments>> C :: 176.872 CA :: 56.590 CB :: 27.264 CG :: 34.430 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.980 HA :: 4.292 HB2 :: 2.284 HB3 :: 2.209 HG2 :: 2.416 HG3 :: 2.349 HE21 :: 6.829 HE22 :: 7.512 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 112.987 NE2 :: 111.878 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.G82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.85 L 0.08 C 0.02 C Shift Assignments>> C :: 174.654 CA :: 45.465 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.002 HA2 :: 4.251 HA3 :: 3.670 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.350 Ave N Shift Values>> N :: 109.67(3.87) 1.Q83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.28 C 0.27 K 0.26 E 0.1 R 0.03 M 0.02 I 0.01 C Shift Assignments>> C :: 174.952 CA :: 57.524 CB :: 28.971 CG :: 34.085 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.242 HA :: 4.258 HB2 :: 1.979 HB3 :: 1.979 HG2 :: 2.425 HG3 :: 2.355 HE21 :: 6.885 HE22 :: 7.458 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 122.213 NE2 :: 111.682 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.T84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.71 C 0.28 C Shift Assignments>> C :: 173.843 CA :: 60.330 CB :: 72.384 CG2 :: 21.069 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.159 HA :: 5.691 HB :: 4.067 HG21 :: 1.241 HG22 :: 1.241 HG23 :: 1.241 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 115.464 Ave N Shift Values>> N :: 115.42(4.75) 1.F85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.76 C 0.16 G 0.07 C Shift Assignments>> C :: 175.560 CA :: 56.137 CB :: 43.008 CD1 :: 131.380 CD2 :: 131.380 CE1 :: 131.180 CE2 :: 131.180 CZ :: 129.096 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 9.151 HA :: 5.302 HB2 :: 3.399 HB3 :: 2.644 HD1 :: 6.889 HD2 :: 6.889 HE1 :: 6.839 HE2 :: 6.839 HZ :: 6.977 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 121.127 Ave N Shift Values>> N :: 120.45(4.18) 1.T86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.88 C 0.11 C Shift Assignments>> C :: 174.019 CA :: 62.875 CB :: 70.704 CG2 :: 22.579 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.853 HA :: 5.089 HB :: 4.213 HG21 :: 1.426 HG22 :: 1.426 HG23 :: 1.426 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 117.764 Ave N Shift Values>> N :: 115.42(4.75) 1.V87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.68 V 0.3 C Shift Assignments>> C :: 174.416 CA :: 59.391 CB :: 35.307 CG1 :: 22.245 CG2 :: 19.999 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.342 HA :: 5.662 HB :: 2.391 HG11 :: 1.188 HG12 :: 1.188 HG13 :: 1.188 HG21 :: 0.917 HG22 :: 0.917 HG23 :: 0.917 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 118.159 Ave N Shift Values>> N :: 121.14(4.54) 1.Q88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.55 C 0.3 Q 0.12 K 0.01 C Shift Assignments>> C :: 171.853 CA :: 54.314 CB :: 32.102 CG :: 32.622 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.887 HA :: 4.561 HB2 :: 1.894 HB3 :: 1.681 HG2 :: 2.011 HG3 :: 2.011 HE21 :: 6.737 HE22 :: 7.432 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 117.968 NE2 :: 110.743 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.R89 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> C 0.54 K 0.24 R 0.18 L 0.02 C Shift Assignments>> C :: 174.099 CA :: 54.908 CB :: 29.552 CG :: 28.020 CD :: 41.247 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.100 HA :: 3.167 HB2 :: 0.429(S) HB3 :: -1.320(A) HG2 :: -0.010(S) HG3 :: -0.622(S) HD2 :: 1.570(S) HD3 :: 1.459(S) HE :: 9.200 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 125.669 NE :: 89.071 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.L90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.69 C 0.2 G 0.04 R 0.03 A 0.01 C Shift Assignments>> C :: 175.446 CA :: 53.685 CB :: 42.879 CG :: 27.526 CD1 :: 24.280 CD2 :: 24.550 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.029 HA :: 4.435 HB2 :: 1.546 HB3 :: 1.477 HG :: 1.276 HD11 :: 0.650 HD12 :: 0.650 HD13 :: 0.650 HD21 :: 0.706 HD22 :: 0.706 HD23 :: 0.706 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 130.232 Ave N Shift Values>> N :: 121.86(3.9) 1.V91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.68 C 0.31 HN Overlap>> 1.A13 1.A13 C Shift Assignments>> C :: 176.793 CA :: 62.460 CB :: 32.099 CG1 :: 21.659 CG2 :: 21.502 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.250 HA :: 4.185 HB :: 1.911 HG11 :: 0.824 HG12 :: 0.824 HG13 :: 0.824 HG21 :: 0.934 HG22 :: 0.934 HG23 :: 0.934 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 124.240 Ave N Shift Values>> N :: 121.14(4.54) 1.K92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.48 C 0.39 R 0.1 C Shift Assignments>> C :: 175.833 CA :: 56.201 CB :: 33.261 CG :: 25.008 CD :: 29.014 CE :: 42.074 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.307 HA :: 4.247 HB2 :: 1.731 HB3 :: 1.393 HG2 :: 1.192 HG3 :: 1.140 HD2 :: 1.488 HD3 :: 1.488 HE2 :: 2.770 HE3 :: 2.770 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 127.238 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.9 M 0.05 C 0.02 L 0.01 C Shift Assignments>> C :: 177.180 CA :: 52.191 CB :: 19.823 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.250 HA :: 4.439 HB1 :: 1.392 HB2 :: 1.392 HB3 :: 1.392 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.062 Ave N Shift Values>> N :: 123.23(3.54) 1.S94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.601 CA :: 58.457 CB :: 64.136 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.323 HA :: 4.465 HB2 :: 3.852 HB3 :: 3.852 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.157 Ave N Shift Values>> N :: 116.28(3.52) 1.G95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.6 L 0.2 R 0.08 C 0.04 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> C :: 171.837 CA :: 44.666 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.192 HA2 :: 4.093 HA3 :: 4.000 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.480 Ave N Shift Values>> N :: 109.67(3.87) 1.P96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.74 C 0.25 C Shift Assignments>> CA :: 63.259 CB :: 32.166 CG :: 27.143 CD :: 49.760 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.458 HB2 :: 2.267 HB3 :: 1.959 HG2 :: 1.990 HG3 :: 1.990 HD2 :: 3.558 HD3 :: 3.529 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.S97 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S98 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G99 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable ########################################################################### Overall Results: #Consistent: 94 #Clerical: 0 #Suspicious: 4 #Anomalous: 1 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 88 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 11 Shift Relative Order (SRO) Results: #Consistent: 98 #Suspicious: 1 C Shift Results: #Consistent: 405 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 624 #Duplicate: 0 #Unknown: 0 #Suspicious: 22 #Anomalous: 1 N Shift Results: #Consistent: 99 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.Y31 HD1 = 5.329(S), Expected = 6.93, Std = 0.3000, ChiSquare = 9.4671e-08 1.Y31 HD2 = 5.329(S), Expected = 6.93, Std = 0.3000, ChiSquare = 9.4671e-08 1.Y31 HE1 = 5.823(S), Expected = 6.70, Std = 0.2300, ChiSquare = 1.3727e-04 1.Y31 HE2 = 5.823(S), Expected = 6.71, Std = 0.2300, ChiSquare = 1.1501e-04 1.Y31 SRO Rule Break>> HD1 > HA : 1 1.Y31 SRO Rule Break>> HD2 > HA : 1 1.Q38 HB2 = 1.140(S), Expected = 2.05, Std = 0.2500, ChiSquare = 2.7264e-04 1.Q38 HB3 = 0.540(S), Expected = 2.02, Std = 0.2800, ChiSquare = 1.2522e-07 1.L48 HB2 = 0.451(S), Expected = 1.61, Std = 0.3400, ChiSquare = 6.5244e-04 1.L48 HB3 = -1.077(S), Expected = 1.52, Std = 0.3600, ChiSquare = 5.4376e-13 1.L48 HD11 = -0.428(S), Expected = 0.75, Std = 0.2800, ChiSquare = 2.5862e-05 1.L48 HD12 = -0.428(S), Expected = 0.75, Std = 0.2800, ChiSquare = 2.5862e-05 1.L48 HD13 = -0.428(S), Expected = 0.75, Std = 0.2800, ChiSquare = 2.5862e-05 1.I63 HG21 = -0.221(S), Expected = 0.77, Std = 0.2700, ChiSquare = 2.4220e-04 1.I63 HG22 = -0.221(S), Expected = 0.77, Std = 0.2700, ChiSquare = 2.4220e-04 1.I63 HG23 = -0.221(S), Expected = 0.77, Std = 0.2700, ChiSquare = 2.4220e-04 1.I63 HD11 = -0.549(S), Expected = 0.68, Std = 0.2900, ChiSquare = 2.2559e-05 1.I63 HD12 = -0.549(S), Expected = 0.68, Std = 0.2900, ChiSquare = 2.2559e-05 1.I63 HD13 = -0.549(S), Expected = 0.68, Std = 0.2900, ChiSquare = 2.2559e-05 1.R89 HB2 = 0.429(S), Expected = 1.79, Std = 0.2700, ChiSquare = 4.6373e-07 1.R89 HB3 = -1.320(A), Expected = 1.76, Std = 0.2800, ChiSquare = 3.8213e-28 1.R89 HG2 = -0.010(S), Expected = 1.57, Std = 0.2700, ChiSquare = 4.8613e-09 1.R89 HG3 = -0.622(S), Expected = 1.54, Std = 0.2900, ChiSquare = 8.9750e-14 1.R89 HD2 = 1.570(S), Expected = 3.12, Std = 0.2400, ChiSquare = 1.0586e-10 1.R89 HD3 = 1.459(S), Expected = 3.10, Std = 0.2600, ChiSquare = 2.7628e-10