Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> M 0.53 I 0.33 A 0.12 C Shift Assignments>> CE :: 16.499 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>> HE1 :: 1.771 HE2 :: 1.771 HE3 :: 1.771 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) 1.D2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> D 0.38 L 0.2 N 0.2 F 0.07 K 0.06 Y 0.05 C Shift Assignments>> C :: 176.275 CA :: 53.228 CB :: 40.961 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>> HA :: 4.738 HB2 :: 2.862 HB3 :: 2.673 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) 1.V3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 177.083 CA :: 65.539 CB :: 31.825 CG1 :: 21.528 CG2 :: 22.002 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 :: 8.450 HA :: 3.765 HB :: 1.417 HG11 :: 1.068 HG12 :: 1.068 HG13 :: 1.068 HG21 :: 1.112 HG22 :: 1.112 HG23 :: 1.112 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 :: 124.529 Ave N Shift Values>> N :: 121.14(4.54) 1.Q4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.35 Q 0.31 E 0.14 I 0.11 R 0.03 M 0.02 P 0.01 C Shift Assignments>> C :: 177.106 CA :: 60.434 CB :: 29.118 CG :: 34.159 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 :: 8.467 HA :: 3.776 HB2 :: 2.221 HB3 :: 2.086 HG2 :: 2.094 HG3 :: 2.246 HE21 :: 6.778 HE22 :: 7.533 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 :: 120.435 NE2 :: 111.993 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.A5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.5 A 0.47 I 0.02 C Shift Assignments>> C :: 181.133 CA :: 54.558 CB :: 17.910 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.932 HA :: 4.131 HB1 :: 1.418 HB2 :: 1.418 HB3 :: 1.418 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.394 Ave N Shift Values>> N :: 123.23(3.54) 1.F6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.64 Y 0.35 C Shift Assignments>> C :: 178.790 CA :: 61.033 CB :: 38.480 CD1 :: 131.193 CD2 :: 131.193 CE1 :: 131.071 CE2 :: 131.071 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 :: 8.110 HA :: 4.175 HB2 :: 3.022 HB3 :: 2.855 HD1 :: 6.842 HD2 :: 6.842 HE1 :: 6.970 HE2 :: 6.970 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 :: 119.933 Ave N Shift Values>> N :: 120.45(4.18) 1.L7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.86 K 0.11 G 0.01 C Shift Assignments>> C :: 179.217 CA :: 58.344 CB :: 41.857 CD1 :: 23.414 CD2 :: 26.085 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 :: 8.571 HA :: 3.763 HB2 :: 2.115 HB3 :: 1.157 HD11 :: 1.013 HD12 :: 1.013 HD13 :: 1.013 HD21 :: 0.883 HD22 :: 0.883 HD23 :: 0.883 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 :: 121.278 Ave N Shift Values>> N :: 121.86(3.9) 1.T8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.652 CA :: 68.824 CB :: 68.800 CG2 :: 21.884 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 :: 9.093 HA :: 4.130 HB :: 3.541 HG1 :: 5.363 HG21 :: 1.178 HG22 :: 1.178 HG23 :: 1.178 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 :: 119.112 Ave N Shift Values>> N :: 115.42(4.75) 1.S9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.25 I 0.24 V 0.23 P 0.09 F 0.03 Y 0.03 S 0.03 W 0.02 C Shift Assignments>> C :: 176.898 CA :: 61.935 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.755 HA :: 4.175 HB2 :: 3.879 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 :: 115.351 Ave N Shift Values>> N :: 116.28(3.52) 1.Q10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.35 Q 0.31 R 0.24 M 0.05 E 0.01 HN Overlap>> 1.A59 1.A59 C Shift Assignments>> C :: 177.798 CA :: 57.247 CB :: 28.038 CG :: 32.867 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 :: 7.816 HA :: 3.986 HB2 :: 1.806 HB3 :: 1.871 HG2 :: 1.894 HG3 :: 1.919 HE21 :: 5.900 HE22 :: 6.718 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 :: 121.254 NE2 :: 114.486 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.8 R 0.15 G 0.03 C Shift Assignments>> C :: 178.790 CA :: 58.737 CB :: 42.435 CG :: 26.386 CD1 :: 26.429 CD2 :: 24.011 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 :: 8.317 HA :: 4.148 HB2 :: 2.101 HB3 :: 1.340 HG :: 0.806 HD11 :: 0.816 HD12 :: 0.816 HD13 :: 0.816 HD21 :: 0.833 HD22 :: 0.833 HD23 :: 0.833 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 :: 119.050 Ave N Shift Values>> N :: 121.86(3.9) 1.E12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.68 E 0.27 K 0.02 C Shift Assignments>> C :: 178.687 CA :: 59.919 CB :: 28.637 CG :: 37.476 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 :: 8.280 HA :: 3.755 HB2 :: 2.107 HB3 :: 1.875 HG2 :: 2.793 HG3 :: 2.042 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 :: 115.216 Ave N Shift Values>> N :: 120.67(3.48) 1.Y13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 179.056 CA :: 61.753 CB :: 37.287 CD1 :: 132.811 CD2 :: 132.811 CE1 :: 118.008 CE2 :: 118.008 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 :: 7.643 HA :: 4.032 HB2 :: 2.953 HB3 :: 2.897 HD1 :: 6.327 HD2 :: 6.327 HE1 :: 6.487 HE2 :: 6.487 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 :: 119.692 Ave N Shift Values>> N :: 120.52(4.2) 1.Y14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 176.055 CA :: 61.503 CB :: 36.795 CD1 :: 132.638 CD2 :: 132.638 CE1 :: 118.134 CE2 :: 118.134 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 :: 7.812 HA :: 3.902 HB2 :: 2.592 HB3 :: 2.520 HD1 :: 7.144 HD2 :: 7.144 HE1 :: 6.782 HE2 :: 6.782 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 :: 118.618 Ave N Shift Values>> N :: 120.52(4.2) 1.F15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.6 Y 0.39 C Shift Assignments>> C :: 173.170 CA :: 58.128 CB :: 38.358 CD1 :: 131.047 CD2 :: 131.047 CE1 :: 129.439 CE2 :: 129.439 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 :: 7.289 HA :: 4.327 HB2 :: 3.411 HB3 :: 2.411 HD1 :: 7.300 HD2 :: 7.300 HE1 :: 7.172 HE2 :: 7.172 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 :: 111.300 Ave N Shift Values>> N :: 120.45(4.18) 1.S16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.198 CA :: 58.190 CB :: 64.270 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.315 HA :: 4.206 HB2 :: 4.236 HB3 :: 4.202 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 :: 116.278 Ave N Shift Values>> N :: 116.28(3.52) 1.I17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 178.444 CA :: 64.353 CB :: 36.532 CG1 :: 28.777 CG2 :: 17.161 CD1 :: 11.485 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 :: 8.688 HA :: 3.337 HB :: 1.919 HG12 :: 1.474 HG13 :: 1.692 HG21 :: 1.029 HG22 :: 1.029 HG23 :: 1.029 HD11 :: 1.032 HD12 :: 1.032 HD13 :: 1.032 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 :: 122.644 Ave N Shift Values>> N :: 121.46(4.28) 1.E18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.51 E 0.39 K 0.06 Q 0.01 C Shift Assignments>> C :: 178.548 CA :: 60.152 CB :: 28.881 CG :: 36.632 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 :: 8.725 HA :: 3.877 HB2 :: 2.049 HB3 :: 1.832 HG2 :: 2.295 HG3 :: 2.249 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 :: 120.169 Ave N Shift Values>> N :: 120.67(3.48) 1.N19 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Suspicious PRTL>> F 0.31 Y 0.28 D 0.12 L 0.12 I 0.06 K 0.03 N 0.02 C Shift Assignments>> C :: 177.567 CA :: 57.370 CB :: 40.210 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 :: 7.574 HA :: 4.391 HB2 :: 1.650(S) HB3 :: 2.361 HD21 :: 8.543 HD22 :: 9.042(S) 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 :: 115.806 ND2 :: 121.214(S) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L20 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.99 C Shift Assignments>> C :: 177.198 CA :: 58.121 CB :: 39.820 CG :: 27.308 CD1 :: 25.246 CD2 :: 24.104 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 :: 8.766 HA :: 3.537 HB2 :: 0.499 HB3 :: -0.115(S) HG :: 1.555 HD11 :: 0.070 HD12 :: 0.070 HD13 :: 0.070 HD21 :: 0.552 HD22 :: 0.552 HD23 :: 0.552 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 :: 119.633 Ave N Shift Values>> N :: 121.86(3.9) 1.S21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.290 CA :: 61.441 CB :: 63.550 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.753 HA :: 4.166 HB2 :: 3.956 HB3 :: 3.961 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 :: 109.011 Ave N Shift Values>> N :: 116.28(3.52) 1.K22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.89 R 0.07 G 0.02 A 0.01 C Shift Assignments>> C :: 176.482 CA :: 55.679 CB :: 35.091 CG :: 24.060 CD :: 29.248 CE :: 42.166 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 :: 7.282 HA :: 4.744 HB2 :: 1.892 HB3 :: 1.899 HG2 :: 1.531 HG3 :: 1.471 HD2 :: 1.700 HD3 :: 1.721 HE2 :: 3.028 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 :: 116.654 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.52 D 0.22 F 0.08 Y 0.08 L 0.06 HN Overlap>> 1.M24 1.M24 C Shift Assignments>> C :: 175.582 CA :: 53.311 CB :: 39.029 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 :: 8.165 HA :: 4.859 HB2 :: 2.887 HB3 :: 2.569 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 :: 123.039 Ave N Shift Values>> N :: 120.65(3.86) 1.M24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.87 A 0.12 HN Overlap>> 1.D23 1.D23 C Shift Assignments>> C :: 177.960 CA :: 56.267 CB :: 30.871 CG :: 32.894 CE :: 16.524 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 :: 8.120 HA :: 4.497 HB2 :: 2.280 HB3 :: 2.082 HG2 :: 2.885 HG3 :: 2.683 HE1 :: 2.153 HE2 :: 2.153 HE3 :: 2.153 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 :: 123.024 Ave N Shift Values>> N :: 120.09(3.57) 1.F25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.67 Y 0.16 F 0.14 C Shift Assignments>> C :: 177.867 CA :: 62.276 CB :: 38.622 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 :: 8.514 HA :: 4.360 HB2 :: 3.400 HB3 :: 3.189 HD1 :: 7.366 HD2 :: 7.366 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 :: 120.796 Ave N Shift Values>> N :: 120.45(4.18) 1.L26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.54 L 0.36 G 0.06 K 0.02 C Shift Assignments>> CA :: 59.214 CB :: 42.809 CG :: 27.922 CD1 :: 26.897 CD2 :: 24.621 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 :: 8.240 HA :: 4.115 HB2 :: 1.783 HB3 :: 1.763 HG :: 1.377 HD11 :: 0.492 HD12 :: 0.492 HD13 :: 0.492 HD21 :: 0.802 HD22 :: 0.802 HD23 :: 0.802 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 :: 121.426 Ave N Shift Values>> N :: 121.86(3.9) 1.R27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.68 K 0.24 P 0.04 Q 0.01 C Shift Assignments>> C :: 179.333 CA :: 59.302 CB :: 30.825 CG :: 26.445 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 :: 7.689 HA :: 4.333 HB2 :: 1.983 HB3 :: 1.945 HD2 :: 3.254 HD3 :: 3.230 HE :: 8.632 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 :: 116.122 NE :: 83.904 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.K28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.66 K 0.3 G 0.03 C Shift Assignments>> C :: 176.159 CA :: 59.633 CB :: 32.691 CG :: 27.258 CE :: 42.230 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 :: 8.692 HA :: 3.898 HB2 :: 1.710 HB3 :: 1.882 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 :: 119.801 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.H29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.17 W 0.16 Q 0.15 E 0.15 H 0.13 R 0.1 I 0.05 M 0.02 L 0.01 C Shift Assignments>> C :: 174.428 CA :: 57.943 CB :: 28.991 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 :: 7.683 HA :: 4.518 HB2 :: 2.836 HB3 :: 2.446 HD2 :: 6.746 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 :: 115.076 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.M30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.69 A 0.25 V 0.03 C Shift Assignments>> C :: 176.621 CA :: 56.144 CB :: 33.466 CE :: 18.544 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 :: 7.288 HA :: 4.489 HB2 :: 1.922 HB3 :: 1.776 HE1 :: 2.157 HE2 :: 2.157 HE3 :: 2.157 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 :: 119.159 Ave N Shift Values>> N :: 120.09(3.57) 1.D31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.4 N 0.26 L 0.18 F 0.05 K 0.04 Y 0.03 C Shift Assignments>> C :: 176.332 CA :: 52.002 CB :: 41.052 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 :: 8.399 HA :: 4.650 HB2 :: 3.401 HB3 :: 2.845 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 :: 122.843 Ave N Shift Values>> N :: 120.65(3.86) 1.D32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.26 F 0.19 L 0.19 Y 0.14 D 0.1 R 0.06 I 0.02 C Shift Assignments>> C :: 176.852 CA :: 57.304 CB :: 41.641 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 :: 7.858 HA :: 4.403 HB2 :: 2.833 HB3 :: 2.651 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 :: 112.307 Ave N Shift Values>> N :: 120.65(3.86) 1.E33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.61 M 0.34 I 0.02 C Shift Assignments>> C :: 173.067 CA :: 55.096 CB :: 31.361 CG :: 37.576 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 :: 8.419 HA :: 4.091 HB2 :: 1.843 HB3 :: 1.818 HG2 :: 2.099 HG3 :: 2.000 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 :: 117.620 Ave N Shift Values>> N :: 120.67(3.48) 1.G34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.9 L 0.07 C Shift Assignments>> C :: 172.974 CA :: 45.750 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.963 HA2 :: 3.884 HA3 :: 3.515 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.040 Ave N Shift Values>> N :: 109.67(3.87) 1.Y35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 177.452 CA :: 58.951 CB :: 40.005 CD1 :: 133.433 CD2 :: 133.433 CE1 :: 117.754 CE2 :: 117.754 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 :: 8.101 HA :: 4.653 HB2 :: 3.238 HB3 :: 2.537 HD1 :: 6.809 HD2 :: 6.809 HE1 :: 6.311 HE2 :: 6.311 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 :: 117.729 Ave N Shift Values>> N :: 120.52(4.2) 1.V36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.87 A 0.12 C Shift Assignments>> C :: 173.898 CA :: 57.907 CB :: 34.608 CG1 :: 20.421 CG2 :: 22.506 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 :: 9.225 HA :: 5.015 HB :: 2.086 HG11 :: 1.033 HG12 :: 1.033 HG13 :: 1.033 HG21 :: 1.028 HG22 :: 1.028 HG23 :: 1.028 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 :: 114.102 Ave N Shift Values>> N :: 121.14(4.54) 1.P37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 178.490 CA :: 62.447 CB :: 32.002 CG :: 28.510 CD :: 50.892 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 :: 4.650 HB2 :: 2.651 HB3 :: 2.613 HG2 :: 2.079 HG3 :: 2.097 HD2 :: 4.247 HD3 :: 3.300 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.L38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.92 R 0.04 G 0.02 C Shift Assignments>> C :: 177.960 CA :: 57.934 CB :: 42.203 CG :: 26.086 CD1 :: 25.514 CD2 :: 23.320 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 :: 8.992 HA :: 3.904 HB2 :: 1.754 HB3 :: 1.176 HD11 :: 0.784 HD12 :: 0.784 HD13 :: 0.784 HD21 :: 0.818 HD22 :: 0.818 HD23 :: 0.818 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 :: 129.011 Ave N Shift Values>> N :: 121.86(3.9) 1.A39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.57 M 0.4 I 0.01 C Shift Assignments>> C :: 178.075 CA :: 54.275 CB :: 18.237 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.114 HA :: 3.867 HB1 :: 1.307 HB2 :: 1.307 HB3 :: 1.307 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 117.009 Ave N Shift Values>> N :: 123.23(3.54) 1.F40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.85 Y 0.14 C Shift Assignments>> C :: 177.083 CA :: 58.780 CB :: 38.301 CD1 :: 130.075 CD2 :: 130.075 CE1 :: 130.088 CE2 :: 130.088 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 :: 6.775 HA :: 3.596 HB2 :: 2.801 HB3 :: 2.035 HD1 :: 6.556 HD2 :: 6.556 HE1 :: 6.756 HE2 :: 6.756 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 :: 115.197 Ave N Shift Values>> N :: 120.45(4.18) 1.L41 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.94 A 0.02 R 0.02 C Shift Assignments>> C :: 177.083 CA :: 56.400 CB :: 40.720 CG :: 27.161 CD1 :: 23.259 CD2 :: 26.180 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 :: 6.689 HA :: 2.687(S) HB2 :: 1.655 HB3 :: 0.983 HG :: 1.337 HD11 :: 0.234 HD12 :: 0.234 HD13 :: 0.234 HD21 :: 0.597 HD22 :: 0.597 HD23 :: 0.597 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 :: 120.796 Ave N Shift Values>> N :: 121.86(3.9) 1.A42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.7 M 0.28 C Shift Assignments>> C :: 176.413 CA :: 53.401 CB :: 18.218 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.353 HA :: 3.846 HB1 :: 1.306 HB2 :: 1.306 HB3 :: 1.306 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 116.006 Ave N Shift Values>> N :: 123.23(3.54) 1.S43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.740 CA :: 59.060 CB :: 64.736 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.117 HA :: 4.341 HB2 :: 4.105 HB3 :: 3.912 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 :: 109.239 Ave N Shift Values>> N :: 116.28(3.52) 1.F44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.84 Y 0.15 C Shift Assignments>> C :: 178.814 CA :: 56.718 CB :: 36.713 CD1 :: 130.068 CD2 :: 130.068 CE1 :: 130.059 CE2 :: 130.059 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 :: 7.703 HA :: 4.495 HB2 :: 3.158 HB3 :: 2.744 HD1 :: 6.492 HD2 :: 6.492 HE1 :: 6.231 HE2 :: 6.231 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 :: 124.471 Ave N Shift Values>> N :: 120.45(4.18) 1.N45 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> HD21 :: 7.695 HD22 :: 6.806 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>> ND2 :: 112.824 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.R46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.59 K 0.27 G 0.13 C Shift Assignments>> CA :: 58.922 CB :: 30.404 CG :: 29.010 CD :: 43.278 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 :: 4.131 HB2 :: 2.134 HB3 :: 1.887 HG2 :: 1.642 HG3 :: 1.642 HD2 :: 3.126 HD3 :: 3.140 HE :: 7.270 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>> NE :: 84.907 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.I47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 177.244 CA :: 62.302 CB :: 38.529 CG1 :: 28.631 CG2 :: 18.484 CD1 :: 11.929 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 :: 7.380 HA :: 4.256 HB :: 2.107 HG12 :: 1.588 HG13 :: 1.196 HG21 :: 1.001 HG22 :: 1.001 HG23 :: 1.001 HD11 :: 0.815 HD12 :: 0.815 HD13 :: 0.815 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 :: 113.391 Ave N Shift Values>> N :: 121.46(4.28) 1.K48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.91 R 0.07 HN Overlap>> 1.E71 1.E71 C Shift Assignments>> C :: 177.244 CA :: 59.050 CB :: 32.218 CG :: 24.461 CD :: 29.751 CE :: 41.828 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 :: 8.294 HA :: 4.241 HB2 :: 1.877 HB3 :: 1.767 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 :: 120.312 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.S49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.690 CA :: 60.686 CB :: 63.032 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.795 HA :: 4.098 HB2 :: 3.592 HB3 :: 3.582 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 :: 111.798 Ave N Shift Values>> N :: 116.28(3.52) 1.F50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.53 F 0.45 C Shift Assignments>> C :: 175.790 CA :: 59.669 CB :: 41.540 CD1 :: 131.483 CD2 :: 131.483 CE1 :: 132.665 CE2 :: 132.665 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 :: 8.052 HA :: 4.584 HB2 :: 3.153 HB3 :: 2.957 HD1 :: 7.200 HD2 :: 7.200 HE1 :: 7.203 HE2 :: 7.203 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 :: 119.166 Ave N Shift Values>> N :: 120.45(4.18) 1.S51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.759 CA :: 58.861 CB :: 64.891 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.188 HA :: 4.483 HB2 :: 3.988 HB3 :: 3.503 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 :: 111.999 Ave N Shift Values>> N :: 116.28(3.52) 1.T52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 173.898 CA :: 61.081 CB :: 68.629 CG2 :: 21.891 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 :: 8.279 HA :: 4.426 HB :: 4.557 HG21 :: 1.259 HG22 :: 1.259 HG23 :: 1.259 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 :: 114.259 Ave N Shift Values>> N :: 115.42(4.75) 1.D53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.36 L 0.25 N 0.11 K 0.11 F 0.07 Y 0.05 R 0.02 C Shift Assignments>> C :: 176.609 CA :: 53.461 CB :: 41.471 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 :: 8.250 HA :: 4.667 HB2 :: 2.985 HB3 :: 2.560 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 :: 122.582 Ave N Shift Values>> N :: 120.65(3.86) 1.L54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.51 L 0.42 I 0.03 R 0.01 C Shift Assignments>> C :: 179.044 CA :: 57.671 CB :: 41.472 CD1 :: 24.596 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 :: 8.867 HA :: 3.974 HB2 :: 1.739 HB3 :: 1.591 HD11 :: 0.847 HD12 :: 0.847 HD13 :: 0.847 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 :: 127.990 Ave N Shift Values>> N :: 121.86(3.9) 1.N55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.32 F 0.26 N 0.1 E 0.09 I 0.07 D 0.06 L 0.03 M 0.02 HN Overlap>> 1.R82 1.R82 C Shift Assignments>> C :: 178.433 CA :: 56.692 CB :: 38.173 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 :: 8.393 HA :: 4.539 HB2 :: 3.028 HB3 :: 2.799 HD21 :: 7.011 HD22 :: 8.024 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 :: 117.189 ND2 :: 114.741 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.96 R 0.02 C Shift Assignments>> C :: 178.952 CA :: 57.376 CB :: 41.489 CG :: 27.102 CD1 :: 24.916 CD2 :: 24.048 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 :: 7.712 HA :: 4.202 HB2 :: 1.715 HB3 :: 1.632 HG :: 1.575 HD11 :: 0.839 HD12 :: 0.839 HD13 :: 0.839 HD21 :: 0.970 HD22 :: 0.970 HD23 :: 0.970 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 :: 124.029 Ave N Shift Values>> N :: 121.86(3.9) 1.L57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.88 R 0.1 C Shift Assignments>> C :: 177.890 CA :: 57.659 CB :: 41.715 CG :: 27.174 CD1 :: 25.242 CD2 :: 25.832 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 :: 7.843 HA :: 3.993 HB2 :: 1.719 HB3 :: 1.706 HD11 :: 0.883 HD12 :: 0.883 HD13 :: 0.883 HD21 :: 0.832 HD22 :: 0.832 HD23 :: 0.832 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 :: 119.572 Ave N Shift Values>> N :: 121.86(3.9) 1.H58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.18 E 0.17 R 0.16 H 0.15 Q 0.12 K 0.07 M 0.06 I 0.02 V 0.01 C Shift Assignments>> C :: 176.852 CA :: 57.810 CB :: 30.308 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 :: 8.461 HA :: 4.127 HB2 :: 3.476 HB3 :: 3.120 HD2 :: 6.716 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 :: 119.450 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.A59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.67 A 0.29 I 0.03 HN Overlap>> 1.Q10 1.Q10 C Shift Assignments>> C :: 180.579 CA :: 54.973 CB :: 17.125 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.769 HA :: 3.761 HB1 :: 1.430 HB2 :: 1.430 HB3 :: 1.430 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.352 Ave N Shift Values>> N :: 123.23(3.54) 1.A60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.63 M 0.34 I 0.01 HN Overlap>> 1.E71 1.E71 C Shift Assignments>> C :: 180.152 CA :: 54.447 CB :: 18.734 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.426 HA :: 3.830 HB1 :: 1.536 HB2 :: 1.536 HB3 :: 1.536 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.274 Ave N Shift Values>> N :: 123.23(3.54) 1.A61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.57 A 0.39 I 0.02 C Shift Assignments>> C :: 179.033 CA :: 54.690 CB :: 17.566 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.306 HA :: 3.907 HB1 :: 1.380 HB2 :: 1.380 HB3 :: 1.380 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.318 Ave N Shift Values>> N :: 123.23(3.54) 1.K62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.9 R 0.09 C Shift Assignments>> C :: 177.452 CA :: 58.369 CB :: 32.091 CG :: 25.384 CD :: 28.863 CE :: 41.222 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 :: 8.144 HA :: 3.967 HB2 :: 1.801 HB3 :: 1.734 HG2 :: 1.409 HG3 :: 1.519 HD2 :: 1.497 HD3 :: 1.501 HE2 :: 2.765 HE3 :: 2.621 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 :: 116.179 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.88 M 0.1 C Shift Assignments>> C :: 177.590 CA :: 52.701 CB :: 19.250 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.210 HA :: 4.205 HB1 :: 1.405 HB2 :: 1.405 HB3 :: 1.405 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 118.026 Ave N Shift Values>> N :: 123.23(3.54) 1.S64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.779 CA :: 57.801 CB :: 64.098 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.124 HA :: 4.325 HB2 :: 3.945 HB3 :: 3.826 HG :: 8.432 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 :: 111.455 Ave N Shift Values>> N :: 116.28(3.52) 1.D65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.27 L 0.25 K 0.17 F 0.11 Y 0.08 N 0.05 R 0.03 HN Overlap>> 1.D68 1.D68 C Shift Assignments>> C :: 176.852 CA :: 55.022 CB :: 41.423 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 :: 9.053 HA :: 4.784 HB2 :: 2.697 HB3 :: 2.708 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 :: 126.085 Ave N Shift Values>> N :: 120.65(3.86) 1.I66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 174.878 CA :: 61.091 CB :: 39.620 CG1 :: 27.365 CG2 :: 17.142 CD1 :: 13.282 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 :: 8.326 HA :: 4.409 HB :: 2.040 HG12 :: 1.108 HG13 :: 1.347 HG21 :: 0.899 HG22 :: 0.899 HG23 :: 0.899 HD11 :: 0.820 HD12 :: 0.820 HD13 :: 0.820 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 :: 113.252 Ave N Shift Values>> N :: 121.46(4.28) 1.I67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 174.209 CA :: 59.319 CB :: 40.802 CG1 :: 26.610 CG2 :: 17.494 CD1 :: 12.883 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 :: 6.931 HA :: 4.584 HB :: 1.696 HG21 :: 0.568 HG22 :: 0.568 HG23 :: 0.568 HD11 :: 0.650 HD12 :: 0.650 HD13 :: 0.650 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 :: 120.184 Ave N Shift Values>> N :: 121.46(4.28) 1.D68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.51 L 0.26 R 0.11 D 0.08 F 0.01 HN Overlap>> 1.D65 1.D65 C Shift Assignments>> C :: 174.740 CA :: 52.625 CB :: 44.267 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 :: 9.017 HA :: 4.957 HB2 :: 2.655 HB3 :: 2.287 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 :: 126.111 Ave N Shift Values>> N :: 120.65(3.86) 1.V69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 175.052 CA :: 60.789 CB :: 33.561 CG1 :: 21.667 CG2 :: 22.302 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 :: 8.397 HA :: 4.757 HB :: 1.991 HG11 :: 0.852 HG12 :: 0.852 HG13 :: 0.852 HG21 :: 0.897 HG22 :: 0.897 HG23 :: 0.897 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 :: 120.997 Ave N Shift Values>> N :: 121.14(4.54) 1.A70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.92 L 0.06 C Shift Assignments>> C :: 175.305 CA :: 50.904 CB :: 21.060 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.086 HA :: 4.688 HB1 :: 0.891 HB2 :: 0.891 HB3 :: 0.891 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 130.835 Ave N Shift Values>> N :: 123.23(3.54) 1.E71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.48 M 0.43 Q 0.06 K 0.01 HN Overlap>> 1.K48 1.K48 1.A60 1.A60 C Shift Assignments>> C :: 175.121 CA :: 55.330 CB :: 31.679 CG :: 36.158 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 :: 8.373 HA :: 4.499 HB2 :: 1.804 HB3 :: 1.904 HG2 :: 2.038 HG3 :: 2.054 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 :: 120.292 Ave N Shift Values>> N :: 120.67(3.48) 1.D72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.33 L 0.28 K 0.12 N 0.08 R 0.07 F 0.05 Y 0.03 C Shift Assignments>> C :: 176.529 CA :: 53.150 CB :: 42.011 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 :: 8.413 HA :: 4.584 HB2 :: 2.789 HB3 :: 2.350 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 :: 122.963 Ave N Shift Values>> N :: 120.65(3.86) 1.L73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.92 R 0.04 A 0.02 C Shift Assignments>> C :: 178.098 CA :: 56.554 CB :: 41.645 CG :: 27.142 CD1 :: 22.906 CD2 :: 25.003 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 :: 8.514 HA :: 4.102 HB2 :: 1.638 HB3 :: 1.521 HD11 :: 0.836 HD12 :: 0.836 HD13 :: 0.836 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 :: 123.564 Ave N Shift Values>> N :: 121.86(3.9) 1.Q74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.37 K 0.32 E 0.19 M 0.05 R 0.03 I 0.01 C Shift Assignments>> C :: 176.090 CA :: 56.509 CB :: 29.206 CG :: 34.409 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 :: 8.364 HA :: 4.249 HB2 :: 2.162 HB3 :: 2.039 HG2 :: 2.357 HG3 :: 2.306 HE21 :: 7.595 HE22 :: 6.808 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 :: 116.335 NE2 :: 112.404 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.S75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 54.989 CB :: 63.908 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.622 HA :: 4.866 HB2 :: 3.726 HB3 :: 3.719 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 :: 114.259 Ave N Shift Values>> N :: 116.28(3.52) 1.P76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 177.429 CA :: 64.410 CB :: 32.121 CG :: 27.352 CD :: 50.722 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 :: 4.383 HB2 :: 2.332 HB3 :: 1.899 HG2 :: 2.009 HG3 :: 2.024 HD2 :: 3.767 HD3 :: 3.719 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.M77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.76 A 0.23 C Shift Assignments>> C :: 176.482 CA :: 55.801 CB :: 30.903 CG :: 32.858 CE :: 17.251 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 :: 8.377 HA :: 4.381 HB2 :: 2.155 HB3 :: 2.080 HG2 :: 2.604 HG3 :: 2.478 HE1 :: 2.036 HE2 :: 2.036 HE3 :: 2.036 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 :: 114.995 Ave N Shift Values>> N :: 120.09(3.57) 1.S78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.759 CA :: 58.768 CB :: 63.340 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.036 HA :: 4.500 HB2 :: 3.964 HB3 :: 3.928 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 :: 115.180 Ave N Shift Values>> N :: 116.28(3.52) 1.I79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 175.328 CA :: 60.600 CB :: 38.260 CG1 :: 27.516 CG2 :: 18.849 CD1 :: 11.508 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 :: 7.347 HA :: 4.340 HB :: 1.555 HG12 :: 0.845 HG13 :: 1.153 HG21 :: 0.600 HG22 :: 0.600 HG23 :: 0.600 HD11 :: 0.363 HD12 :: 0.363 HD13 :: 0.363 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 :: 121.953 Ave N Shift Values>> N :: 121.46(4.28) 1.K80 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.92 R 0.04 A 0.02 C Shift Assignments>> C :: 173.932 CA :: 54.712 CB :: 35.612 CG :: 24.154 CD :: 29.283 CE :: 41.592 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 :: 8.969 HA :: 5.182 HB2 :: 1.544 HB3 :: 1.373 HG2 :: 1.033 HG3 :: 1.036 HD2 :: 1.267 HD3 :: 1.039 HE2 :: 2.255(S) HE3 :: 2.268 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 :: 128.047 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.61 I 0.22 A 0.16 C Shift Assignments>> C :: 174.198 CA :: 58.745 CB :: 36.071 CG1 :: 19.958 CG2 :: 23.756 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 :: 9.107 HA :: 5.721 HB :: 1.912 HG11 :: 0.789 HG12 :: 0.789 HG13 :: 0.789 HG21 :: 0.798 HG22 :: 0.798 HG23 :: 0.798 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 :: 112.826 Ave N Shift Values>> N :: 121.14(4.54) 1.R82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.9 G 0.04 R 0.03 A 0.01 HN Overlap>> 1.N55 1.N55 C Shift Assignments>> C :: 173.771 CA :: 53.577 CB :: 35.023 CG :: 24.952 CD :: 42.225 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 :: 8.390 HA :: 4.597 HB2 :: 1.374 HB3 :: 1.368 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 :: 117.173 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.R83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.17 H 0.16 M 0.14 W 0.14 E 0.13 K 0.12 Q 0.09 V 0.01 C Shift Assignments>> C :: 174.913 CA :: 56.694 CB :: 31.235 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 :: 9.040 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 :: 122.515 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.K84 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.E85 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.T86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.53 T 0.4 I 0.02 K 0.02 C Shift Assignments>> CA :: 62.083 CG2 :: 23.126 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>> HA :: 4.539 HB :: 3.924 HG21 :: 1.228 HG22 :: 1.228 HG23 :: 1.228 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) 1.W87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.87 H 0.12 C Shift Assignments>> CA :: 55.270 CB :: 30.999 CD1 :: 124.672 CZ2 :: 114.643 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>> HD1 :: 7.218 HE1 :: 10.273 HZ2 :: 7.449 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>> NE1 :: 130.390 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.S88 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P89 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> CA :: 65.087 CB :: 30.750 CG :: 27.347 CD :: 50.707 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 :: 4.039 HB2 :: 1.651 HB3 :: -0.071(S) HG2 :: 1.139 HG3 :: 1.412 HD2 :: 3.497 HD3 :: 2.874 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.W90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.99 C Shift Assignments>> CA :: 55.670 CB :: 30.995 CD1 :: 125.043 CE3 :: 119.640 CZ2 :: 114.609 CH2 :: 121.782 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 :: 6.493 HA :: 4.600 HB2 :: 3.275 HB3 :: 3.459 HD1 :: 7.151 HE1 :: 10.091 HE3 :: 7.095 HZ2 :: 7.433 HZ3 :: 6.910 HH2 :: 6.935 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 :: 113.412 NE1 :: 128.217 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.I91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 176.252 CA :: 62.245 CB :: 39.261 CG1 :: 27.751 CG2 :: 18.638 CD1 :: 14.903 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 :: 6.885 HA :: 4.039 HB :: 1.818 HG12 :: 1.750 HG13 :: 1.443 HG21 :: 1.140 HG22 :: 1.140 HG23 :: 1.140 HD11 :: 1.163 HD12 :: 1.163 HD13 :: 1.163 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 :: 116.134 Ave N Shift Values>> N :: 121.46(4.28) 1.L92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.51 A 0.44 K 0.02 G 0.02 C Shift Assignments>> C :: 173.898 CA :: 52.252 CB :: 41.824 CD1 :: 27.009 CD2 :: 22.260 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 :: 9.370 HA :: 4.904 HB2 :: 1.575 HB3 :: 1.515 HD11 :: 0.921 HD12 :: 0.921 HD13 :: 0.921 HD21 :: 0.952 HD22 :: 0.952 HD23 :: 0.952 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 :: 129.266 Ave N Shift Values>> N :: 121.86(3.9) 1.P93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 178.075 CA :: 62.731 CB :: 32.387 CG :: 28.240 CD :: 50.981 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 :: 4.449 HB2 :: 2.421 HB3 :: 1.897 HG2 :: 2.104 HG3 :: 2.084 HD2 :: 4.242 HD3 :: 4.242 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.S94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.875 CA :: 61.529 CB :: 62.545 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.895 HA :: 3.910 HB2 :: 3.635 HB3 :: 3.642 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 :: 118.262 Ave N Shift Values>> N :: 116.28(3.52) 1.E95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.47 I 0.31 K 0.12 Q 0.06 C Shift Assignments>> C :: 177.360 CA :: 58.985 CB :: 28.453 CG :: 36.211 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 :: 9.454 HA :: 4.211 HB2 :: 2.106 HB3 :: 2.080 HG2 :: 2.329 HG3 :: 2.315 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 :: 119.632 Ave N Shift Values>> N :: 120.67(3.48) 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 :: 173.782 CA :: 58.473 CB :: 64.757 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.184 HA :: 4.601 HB2 :: 3.832 HB3 :: 3.538 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 :: 115.377 Ave N Shift Values>> N :: 116.28(3.52) 1.R97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.68 G 0.25 K 0.05 C Shift Assignments>> C :: 176.217 CA :: 56.930 CB :: 32.226 CG :: 27.400 CD :: 43.974 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 :: 7.201 HA :: 4.434 HB2 :: 2.013 HB3 :: 1.714 HD2 :: 3.464 HD3 :: 2.894 HE :: 6.616 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 :: 118.560 NE :: 84.773 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.L98 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.62 L 0.22 A 0.12 R 0.03 C Shift Assignments>> C :: 175.225 CA :: 52.962 CB :: 44.740 CG :: 26.949 CD1 :: 22.700 CD2 :: 26.424 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 :: 7.872 HA :: 4.416 HB2 :: 1.034 HB3 :: 0.165(S) HG :: 1.341 HD11 :: 0.874 HD12 :: 0.874 HD13 :: 0.874 HD21 :: 0.849 HD22 :: 0.849 HD23 :: 0.849 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 :: 120.695 Ave N Shift Values>> N :: 121.86(3.9) 1.K99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.83 R 0.14 G 0.01 C Shift Assignments>> C :: 176.171 CA :: 54.890 CB :: 33.965 CG :: 24.880 CD :: 29.133 CE :: 42.137 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 :: 8.094 HA :: 4.467 HB2 :: 1.708 HB3 :: 1.629 HG2 :: 1.267 HG3 :: 1.373 HD2 :: 1.640 HD3 :: 1.640 HE2 :: 2.955 HE3 :: 2.955 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 :: 119.491 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.F100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.51 Y 0.48 C Shift Assignments>> C :: 174.636 CA :: 57.686 CB :: 39.612 CD1 :: 131.692 CD2 :: 131.692 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 :: 8.933 HA :: 4.662 HB2 :: 2.928 HB3 :: 2.875 HD1 :: 7.210 HD2 :: 7.210 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 :: 125.705 Ave N Shift Values>> N :: 120.45(4.18) 1.E101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.55 M 0.25 Q 0.11 K 0.06 I 0.01 C Shift Assignments>> C :: 175.352 CA :: 55.355 CB :: 30.637 CG :: 36.045 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 :: 8.014 HA :: 4.230 HB2 :: 1.926 HB3 :: 1.776 HG2 :: 2.111 HG3 :: 2.110 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 :: 127.636 Ave N Shift Values>> N :: 120.67(3.48) 1.M102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.88 A 0.08 I 0.01 V 0.01 C Shift Assignments>> C :: 176.875 CA :: 56.946 CB :: 32.142 CE :: 17.217 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 :: 8.246 HA :: 4.066 HB2 :: 2.590 HB3 :: 2.016 HE1 :: 2.122 HE2 :: 2.122 HE3 :: 2.122 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 :: 124.087 Ave N Shift Values>> N :: 120.09(3.57) 1.A103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.59 M 0.37 I 0.01 C Shift Assignments>> C :: 179.010 CA :: 54.418 CB :: 18.511 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.506 HA :: 4.095 HB1 :: 1.362 HB2 :: 1.362 HB3 :: 1.362 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.779 Ave N Shift Values>> N :: 123.23(3.54) 1.K104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.99 C Shift Assignments>> C :: 177.452 CA :: 57.517 CB :: 32.493 CG :: 24.756 CD :: 29.204 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 :: 7.662 HA :: 4.079 HB2 :: 1.723 HB3 :: 1.720 HG2 :: 1.384 HG3 :: 1.384 HD2 :: 1.622 HD3 :: 1.622 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 :: 117.346 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Y105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 176.506 CA :: 59.137 CB :: 38.558 CE1 :: 117.807 CE2 :: 117.807 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 :: 7.767 HA :: 4.491 HB2 :: 3.037 HB3 :: 3.184 HD1 :: 7.164 HD2 :: 7.164 HE1 :: 6.499 HE2 :: 6.499 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 :: 119.732 Ave N Shift Values>> N :: 120.52(4.2) 1.L106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.45 R 0.27 K 0.24 I 0.01 C Shift Assignments>> C :: 177.636 CA :: 55.755 CB :: 42.186 CG :: 26.380 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 :: 8.012 HA :: 4.172 HB2 :: 1.712 HB3 :: 1.648 HD11 :: 0.867 HD12 :: 0.867 HD13 :: 0.867 HD21 :: 0.879 HD22 :: 0.879 HD23 :: 0.879 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 :: 120.836 Ave N Shift Values>> N :: 121.86(3.9) 1.E107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.6 M 0.11 K 0.11 Q 0.09 I 0.07 C Shift Assignments>> C :: 176.644 CA :: 57.520 CB :: 30.097 CG :: 36.205 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 :: 7.943 HA :: 4.105 HB2 :: 1.908 HB3 :: 1.908 HG2 :: 2.219 HG3 :: 2.219 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 :: 119.743 Ave N Shift Values>> N :: 120.67(3.48) 1.H108 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H109 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H110 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H111 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H112 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable C Shift Assignments>> C :: 174.059 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) 1.H113 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent C Shift Assignments>> C :: 179.437 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 :: 7.911 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 :: 125.832 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) ########################################################################### Overall Results: #Consistent: 107 #Clerical: 0 #Suspicious: 6 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 103 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 10 Shift Relative Order (SRO) Results: #Consistent: 113 #Suspicious: 0 C Shift Results: #Consistent: 453 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 701 #Duplicate: 0 #Unknown: 0 #Suspicious: 7 #Anomalous: 0 N Shift Results: #Consistent: 105 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 Error Summary: 1.N19 HB2 = 1.650(S), Expected = 2.81, Std = 0.3100, ChiSquare = 1.8261e-04 1.N19 HD22 = 9.042(S), Expected = 7.14, Std = 0.4900, ChiSquare = 1.0376e-04 1.N19 ND2 = 121.214(S), Expected = 112.75, Std = 2.2300, ChiSquare = 1.4734e-04 1.L20 HB3 = -0.115(S), Expected = 1.52, Std = 0.3600, ChiSquare = 5.5811e-06 1.L41 HA = 2.687(S), Expected = 4.32, Std = 0.4700, ChiSquare = 5.1187e-04 1.K80 HE2 = 2.255(S), Expected = 2.92, Std = 0.1900, ChiSquare = 4.6526e-04 1.P89 HB3 = -0.071(S), Expected = 2.00, Std = 0.3600, ChiSquare = 8.7789e-09 1.L98 HB3 = 0.165(S), Expected = 1.52, Std = 0.3600, ChiSquare = 1.6729e-04