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.H3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.M4 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.T5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> T 0.9 C 0.09 C Shift Assignments>> CA :: 62.132 CB :: 69.845 CG2 :: 21.902 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 :: 4.357 HB :: 4.244 HG21 :: 1.244 HG22 :: 1.244 HG23 :: 1.244 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.D6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> D 0.37 L 0.22 N 0.15 K 0.07 C 0.05 F 0.04 R 0.02 Y 0.02 C Shift Assignments>> CA :: 51.861 CB :: 41.692 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 :: 5.019 HB2 :: 2.647 HB3 :: 2.859 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.P7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.8 C 0.18 C Shift Assignments>> CA :: 64.125 CB :: 32.213 CG :: 27.210 CD :: 51.041 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 :: 4.400 HB2 :: 1.774 HB3 :: 2.031 HG2 :: 1.961 HG3 :: 1.961 HD2 :: 3.905 HD3 :: 3.905 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.S8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.C98 1.C98 C Shift Assignments>> C :: 175.107 CA :: 59.668 CB :: 63.629 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.374 HA :: 4.422 HB2 :: 4.089 HB3 :: 3.976 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 :: 114.132 Ave N Shift Values>> N :: 116.28(3.52) 1.K9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.46 C 0.4 R 0.12 HN Overlap>> 1.D161 1.D161 C Shift Assignments>> C :: 176.425 CA :: 56.448 CB :: 32.980 CG :: 25.125 CD :: 29.076 CE :: 42.094 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 :: 8.052 HA :: 4.447 HB2 :: 2.089 HB3 :: 1.954 HG2 :: 1.592 HG3 :: 1.524 HD2 :: 1.790 HD3 :: 1.790 HE2 :: 3.092 HE3 :: 3.092 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 :: 122.388 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.53 C 0.24 G 0.15 R 0.05 C Shift Assignments>> C :: 175.269 CA :: 55.212 CB :: 43.894 CG :: 27.190 CD1 :: 25.099 CD2 :: 24.665 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 :: 7.848 HA :: 4.552 HB2 :: 1.791 HB3 :: 1.657 HG :: 1.712 HD11 :: 0.967 HD12 :: 0.967 HD13 :: 0.967 HD21 :: 0.918 HD22 :: 0.918 HD23 :: 0.918 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 :: 122.485 Ave N Shift Values>> N :: 121.86(3.9) 1.A11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.92 M 0.04 C 0.02 L 0.01 C Shift Assignments>> C :: 177.158 CA :: 51.779 CB :: 19.833 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.993 HA :: 5.232 HB1 :: 1.669 HB2 :: 1.669 HB3 :: 1.669 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 129.680 Ave N Shift Values>> N :: 123.23(3.54) 1.V12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.6 V 0.39 C Shift Assignments>> C :: 173.885 CA :: 59.885 CB :: 35.457 CG1 :: 21.091 CG2 :: 21.242 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 :: 8.811 HA :: 5.526 HB :: 1.934 HG11 :: 0.789 HG12 :: 0.789 HG13 :: 0.789 HG21 :: 0.888 HG22 :: 0.888 HG23 :: 0.888 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 :: 125.489 Ave N Shift Values>> N :: 121.14(4.54) 1.A13 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> A 0.91 G 0.04 C 0.01 M 0.01 C Shift Assignments>> C :: 175.986 CA :: 49.062 CB :: 19.731 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.490 HA :: 5.456 HB1 :: 0.154(S) HB2 :: 0.154(S) HB3 :: 0.154(S) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 127.442 Ave N Shift Values>> N :: 123.23(3.54) 1.V14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 V 0.49 C Shift Assignments>> C :: 175.041 CA :: 59.891 CB :: 33.510 CG1 :: 21.938 CG2 :: 20.739 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 :: 8.304 HA :: 5.326 HB :: 1.732 HG11 :: 0.822 HG12 :: 0.822 HG13 :: 0.822 HG21 :: 0.741 HG22 :: 0.741 HG23 :: 0.741 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 :: 119.256 Ave N Shift Values>> N :: 121.14(4.54) 1.V15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.65 V 0.34 C Shift Assignments>> C :: 174.341 CA :: 60.763 CB :: 35.317 CG1 :: 23.289 CG2 :: 21.931 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 :: 9.176 HA :: 5.305 HB :: 1.699 HG11 :: 0.809 HG12 :: 0.809 HG13 :: 0.809 HG21 :: 0.487 HG22 :: 0.487 HG23 :: 0.487 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 :: 126.537 Ave N Shift Values>> N :: 121.14(4.54) 1.C16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.22 K 0.19 M 0.15 Q 0.15 R 0.08 H 0.07 V 0.06 E 0.04 C Shift Assignments>> C :: 174.423 CA :: 57.941 CB :: 33.094 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 9.154 HA :: 5.350 HB2 :: 3.091 HB3 :: 3.762 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 :: 126.123 Ave N Shift Values>> N :: 120.17(4.64) 1.S17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> CA :: 61.371 CB :: 64.034 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> HA :: 4.878 HB2 :: 4.251 HB3 :: 4.053 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.S18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.96 T 0.03 C Shift Assignments>> C :: 172.053 CA :: 59.779 CB :: 65.321 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> HA :: 5.037 HB2 :: 4.189 HB3 :: 4.413 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.N19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.3 D 0.29 L 0.11 F 0.1 Y 0.08 C 0.07 C Shift Assignments>> C :: 172.192 CA :: 53.861 CB :: 39.865 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 :: 9.440 HA :: 3.947 HB2 :: 3.587 HB3 :: 2.777 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 :: 121.869 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.M20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.9 I 0.09 C Shift Assignments>> C :: 174.309 CA :: 62.040 CB :: 32.543 CG :: 28.144 CE :: 17.744 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 :: 7.600 HA :: 5.281 HB2 :: 2.370 HB3 :: 1.975 HG2 :: 1.599 HG3 :: 1.791 HE1 :: 1.981 HE2 :: 1.981 HE3 :: 1.981 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 :: 114.660 Ave N Shift Values>> N :: 120.09(3.57) 1.N21 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> N 0.28 D 0.28 L 0.11 F 0.11 Y 0.1 C 0.08 C Shift Assignments>> CA :: 54.118 CB :: 39.778 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>> HA :: 5.134 HB2 :: 3.892(S) HB3 :: 2.947 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) 1.R22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.33 C 0.25 P 0.21 R 0.04 K 0.03 E 0.03 H 0.02 I 0.02 M 0.02 Q 0.01 C Shift Assignments>> C :: 180.300 CA :: 61.575 CB :: 31.737 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 :: 3.934 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.S23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.100 CA :: 61.965 CB :: 61.377 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.273 HA :: 3.978 HB2 :: 4.094 HB3 :: 4.094 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 :: 111.693 Ave N Shift Values>> N :: 116.28(3.52) 1.M24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.46 C 0.36 A 0.15 I 0.01 C Shift Assignments>> C :: 178.689 CA :: 55.573 CB :: 31.290 CE :: 17.259 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 :: 6.446 HA :: 4.868 HE1 :: 1.607 HE2 :: 1.607 HE3 :: 1.607 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 :: 121.381 Ave N Shift Values>> N :: 120.09(3.57) 1.E25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.19 E 0.17 H 0.13 R 0.13 Q 0.12 K 0.12 I 0.05 M 0.03 V 0.02 HN Overlap>> 1.D144 1.D144 1.Y120 1.Y120 C Shift Assignments>> C :: 179.259 CA :: 58.735 CB :: 29.746 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 :: 8.222 HA :: 4.285 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 :: 122.778 Ave N Shift Values>> N :: 120.67(3.48) 1.A26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.61 A 0.28 I 0.06 C 0.03 C Shift Assignments>> C :: 177.810 CA :: 55.698 CB :: 18.047 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.261 HA :: 4.110 HB1 :: 1.490 HB2 :: 1.490 HB3 :: 1.490 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 118.593 Ave N Shift Values>> N :: 123.23(3.54) 1.H27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.27 K 0.17 Q 0.15 M 0.12 V 0.12 R 0.05 H 0.04 E 0.02 C Shift Assignments>> C :: 178.037 CA :: 58.941 CB :: 33.505 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 :: 8.972 HA :: 4.085 HB2 :: 3.390 HB3 :: 3.571 HD2 :: 7.004 HE1 :: 7.793 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 :: 119.886 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.N28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.26 F 0.25 C 0.13 D 0.12 L 0.08 N 0.06 I 0.05 C Shift Assignments>> C :: 176.719 CA :: 56.781 CB :: 39.483 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 :: 8.385 HA :: 4.397 HB2 :: 2.817 HB3 :: 3.263 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 :: 116.055 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.F29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.41 Y 0.38 C 0.2 HN Overlap>> 1.I111 1.I111 C Shift Assignments>> C :: 178.689 CA :: 61.647 CB :: 39.839 CD1 :: 131.470 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 :: 7.901 HA :: 4.240 HB2 :: 3.270 HB3 :: 3.235 HD1 :: 7.393 HD2 :: 7.393 HE1 :: 7.270 HE2 :: 7.270 HZ :: 7.569 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 :: 118.518 Ave N Shift Values>> N :: 120.45(4.18) 1.L30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 L 0.27 R 0.24 G 0.03 C Shift Assignments>> C :: 179.698 CA :: 58.404 CB :: 42.709 CG :: 27.424 CD1 :: 26.685 CD2 :: 25.883 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 :: 9.061 HA :: 4.182 HB2 :: 2.144 HB3 :: 1.227 HG :: 2.012 HD11 :: 0.642 HD12 :: 0.642 HD13 :: 0.642 HD21 :: 0.642 HD22 :: 0.642 HD23 :: 0.642 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 :: 119.437 Ave N Shift Values>> N :: 121.86(3.9) 1.A31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.56 A 0.36 I 0.04 C 0.02 C Shift Assignments>> C :: 182.759 CA :: 55.220 CB :: 17.990 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.128 HA :: 4.505 HB1 :: 1.744 HB2 :: 1.744 HB3 :: 1.744 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.379 Ave N Shift Values>> N :: 123.23(3.54) 1.K32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.59 R 0.35 K 0.04 C Shift Assignments>> C :: 178.526 CA :: 59.110 CB :: 32.405 CG :: 27.429 CD :: 31.187 CE :: 42.000 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 :: 7.961 HA :: 4.200 HB2 :: 2.068 HB3 :: 1.983 HG2 :: 1.625 HG3 :: 1.817 HD2 :: 1.837 HD3 :: 1.931 HE2 :: 3.085 HE3 :: 3.085 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 :: 120.121 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.5 C 0.33 R 0.15 C Shift Assignments>> C :: 176.214 CA :: 55.198 CB :: 32.803 CG :: 25.213 CD :: 28.859 CE :: 42.173 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 :: 7.474 HA :: 4.384 HB2 :: 2.246 HB3 :: 2.098 HG2 :: 1.579 HG3 :: 1.579 HD2 :: 1.683 HD3 :: 1.683 HE2 :: 2.875 HE3 :: 2.875 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 :: 117.008 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.84 L 0.09 C 0.02 R 0.01 C Shift Assignments>> C :: 174.667 CA :: 45.325 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.828 HA2 :: 4.144 HA3 :: 3.772 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.065 Ave N Shift Values>> N :: 109.67(3.87) 1.F35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.41 F 0.38 C 0.2 HN Overlap>> 1.Q108 1.T81 1.Q108 1.T81 C Shift Assignments>> C :: 175.286 CA :: 58.844 CB :: 39.662 CD1 :: 132.365 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 :: 7.789 HA :: 4.501 HB2 :: 2.952 HB3 :: 2.638 HD1 :: 7.574 HD2 :: 7.574 HE1 :: 7.259 HE2 :: 7.259 HZ :: 7.430 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 :: 118.056 Ave N Shift Values>> N :: 120.45(4.18) 1.N36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.56 C 0.17 E 0.05 M 0.05 Y 0.05 F 0.03 D 0.03 C Shift Assignments>> C :: 173.218 CA :: 52.614 CB :: 37.071 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 :: 9.509 HA :: 4.897 HB2 :: 3.665 HB3 :: 2.973 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 :: 122.325 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.V37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.9 A 0.04 V 0.03 C Shift Assignments>> C :: 172.957 CA :: 58.026 CB :: 34.981 CG1 :: 18.472 CG2 :: 23.039 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 :: 7.774 HA :: 5.565 HB :: 1.574 HG11 :: 0.880 HG12 :: 0.880 HG13 :: 0.880 HG21 :: 0.638 HG22 :: 0.638 HG23 :: 0.638 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 :: 122.875 Ave N Shift Values>> N :: 121.14(4.54) 1.R38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.59 K 0.21 G 0.14 R 0.03 C Shift Assignments>> C :: 173.397 CA :: 53.934 CB :: 35.954 CG :: 28.695 CD :: 43.058 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 :: 8.253 HA :: 4.422 HB2 :: 2.237 HB3 :: 2.237 HG2 :: 1.987 HG3 :: 2.100 HD2 :: 3.628 HD3 :: 3.491 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 :: 125.778 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.S39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.029 CA :: 55.968 CB :: 64.550 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.444 HA :: 5.633 HB2 :: 3.747 HB3 :: 3.590 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 :: 113.397 Ave N Shift Values>> N :: 116.28(3.52) 1.Y40 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.68 C 0.16 L 0.12 C Shift Assignments>> C :: 174.618 CA :: 56.432 CB :: 47.169(S) 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 :: 8.149 HA :: 5.248 HB2 :: 3.472 HB3 :: 2.498 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 :: 112.536 Ave N Shift Values>> N :: 120.52(4.2) 1.G41 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.31 L 0.3 G 0.19 D 0.04 F 0.04 C 0.04 Y 0.02 K 0.01 C Shift Assignments>> C :: 174.406 CA :: 43.866 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.320 HA2 :: 5.556(S) HA3 :: 3.500 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.745 Ave N Shift Values>> N :: 109.67(3.87) 1.T42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.55 C 0.44 C Shift Assignments>> C :: 177.061 CA :: 61.146 CB :: 71.350 CG2 :: 23.382 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 :: 8.589 HA :: 5.440 HB :: 4.584 HG21 :: 1.125 HG22 :: 1.125 HG23 :: 1.125 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 :: 108.428 Ave N Shift Values>> N :: 115.42(4.75) 1.G43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.78 L 0.12 C 0.03 R 0.02 F 0.01 C Shift Assignments>> C :: 172.452 CA :: 45.099 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.216 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.193 Ave N Shift Values>> N :: 109.67(3.87) 1.E44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.48 E 0.33 I 0.11 M 0.04 K 0.01 C Shift Assignments>> C :: 177.871 CA :: 59.258 CB :: 30.676 CG :: 37.155 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>> HA :: 4.254 HB2 :: 2.202 HB3 :: 2.118 HG2 :: 2.523 HG3 :: 2.426 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) 1.R45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 R 0.29 K 0.15 G 0.11 C Shift Assignments>> C :: 172.974 CA :: 54.357 CB :: 34.099 CG :: 27.581 CD :: 43.276 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 :: 8.018 HA :: 4.578 HB2 :: 1.987 HB3 :: 1.553 HG2 :: 1.674 HG3 :: 1.559 HD2 :: 3.130 HD3 :: 3.034 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 :: 115.530 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.V46 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 :: 174.325 CA :: 62.566 CB :: 32.498 CG1 :: 21.761 CG2 :: 19.022 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 :: 8.615 HA :: 3.550 HB :: 1.861 HG11 :: 0.791 HG12 :: 0.791 HG13 :: 0.791 HG21 :: -0.053 HG22 :: -0.053 HG23 :: -0.053 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 :: 122.311 Ave N Shift Values>> N :: 121.14(4.54) 1.K47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 K 0.38 R 0.21 C Shift Assignments>> C :: 175.041 CA :: 55.283 CB :: 35.197 CG :: 25.495 CD :: 30.047 CE :: 41.917 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 :: 8.376 HA :: 5.315 HB2 :: 1.693 HB3 :: 1.745 HG2 :: 1.271 HG3 :: 1.404 HD2 :: 1.680 HD3 :: 1.680 HE2 :: 2.918 HE3 :: 2.918 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 :: 125.907 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.59 C 0.17 R 0.11 L 0.11 HN Overlap>> 1.R101 1.R101 C Shift Assignments>> C :: 173.625 CA :: 52.248 CB :: 44.485 CG :: 28.407 CD1 :: 26.985 CD2 :: 25.899 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 :: 9.275 HA :: 5.114 HB2 :: 1.793 HB3 :: 1.899 HG :: 1.885 HD11 :: 1.110 HD12 :: 1.110 HD13 :: 1.110 HD21 :: 1.155 HD22 :: 1.155 HD23 :: 1.155 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 :: 125.237 Ave N Shift Values>> N :: 121.86(3.9) 1.P49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.76 C 0.23 C Shift Assignments>> C :: 176.293 CA :: 63.930 CB :: 32.936 CG :: 27.876 CD :: 50.940 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 :: 4.452 HB2 :: 2.597 HB3 :: 2.597 HG2 :: 2.329 HG3 :: 2.242 HD2 :: 4.093 HD3 :: 3.780 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.G50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.33 L 0.3 G 0.16 D 0.05 F 0.04 C 0.04 Y 0.02 K 0.01 C Shift Assignments>> C :: 174.667 CA :: 43.767 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.747 HA2 :: 4.055 HA3 :: 5.067 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.728 Ave N Shift Values>> N :: 109.67(3.87) 1.M51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> M 0.48 C 0.46 A 0.05 C Shift Assignments>> C :: 175.565 CA :: 56.882 CB :: 32.021 CG :: 32.792 CE :: 17.259 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>> HA :: 4.030 HB2 :: 1.609 HB3 :: 2.184 HG2 :: 1.832 HG3 :: 1.653 HE1 :: 1.791 HE2 :: 1.791 HE3 :: 1.791 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.A52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.64 L 0.24 C 0.1 HN Overlap>> 1.Q181 1.Q181 C Shift Assignments>> C :: 179.194 CA :: 50.902 CB :: 22.146 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.707 HA :: 4.704 HB1 :: 1.447 HB2 :: 1.447 HB3 :: 1.447 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 118.797 Ave N Shift Values>> N :: 123.23(3.54) 1.F53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> Y 0.4 F 0.34 C 0.24 C Shift Assignments>> C :: 175.225 CA :: 60.306 CB :: 38.664 CD1 :: 132.269 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>> HA :: 4.360 HB2 :: 3.332 HB3 :: 3.222 HD1 :: 7.362 HD2 :: 7.362 HE1 :: 7.468 HE2 :: 7.468 HZ :: 7.141 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) 1.D54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.44 D 0.28 L 0.08 C 0.06 F 0.06 Y 0.05 C Shift Assignments>> C :: 175.302 CA :: 52.585 CB :: 39.761 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 :: 8.293 HA :: 4.470 HB2 :: 2.305 HB3 :: 2.785 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 :: 115.834 Ave N Shift Values>> N :: 120.65(3.86) 1.K55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.57 C 0.31 R 0.07 G 0.02 A 0.01 C Shift Assignments>> C :: 172.632 CA :: 53.463 CB :: 33.475 CG :: 24.124 CD :: 29.275 CE :: 42.314 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 :: 7.468 HA :: 4.876 HB2 :: 1.900 HB3 :: 1.573 HG2 :: 1.326 HG3 :: 1.404 HD2 :: 1.761 HD3 :: 1.603 HE2 :: 2.983 HE3 :: 2.983 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 :: 119.140 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.P56 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 :: 63.159 CB :: 32.151 CG :: 26.622 CD :: 50.148 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 :: 4.689 HB2 :: 2.297 HB3 :: 1.800 HG2 :: 1.737 HG3 :: 1.964 HD2 :: 3.580 HD3 :: 3.353 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.N57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.35 L 0.2 N 0.15 F 0.07 K 0.07 Y 0.05 C 0.05 HN Overlap>> 1.E73 1.E73 1.N164 1.E128 1.N164 1.E128 C Shift Assignments>> C :: 172.892 CA :: 53.526 CB :: 41.054 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 :: 8.771 HA :: 4.712 HB2 :: 2.781 HB3 :: 2.658 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 :: 118.944 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.V58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.5 C 0.49 C Shift Assignments>> C :: 174.504 CA :: 60.479 CB :: 34.449 CG1 :: 22.019 CG2 :: 20.700 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 :: 7.900 HA :: 5.115 HB :: 1.713 HG11 :: 0.803 HG12 :: 0.803 HG13 :: 0.803 HG21 :: 0.780 HG22 :: 0.780 HG23 :: 0.780 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 :: 122.171 Ave N Shift Values>> N :: 121.14(4.54) 1.Y59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.49 C 0.28 F 0.2 G 0.01 C Shift Assignments>> C :: 174.618 CA :: 55.801 CB :: 41.854 CD1 :: 133.791 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 :: 9.018 HA :: 4.778 HD1 :: 6.889 HD2 :: 6.889 HE1 :: 6.474 HE2 :: 6.474 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 :: 123.069 Ave N Shift Values>> N :: 120.52(4.2) 1.E60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.43 C 0.33 M 0.08 K 0.07 Q 0.05 I 0.02 C Shift Assignments>> C :: 180.464 CA :: 55.734 CB :: 30.032 CG :: 36.403 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 :: 8.871 HA :: 4.662 HB2 :: 1.812 HB3 :: 1.812 HG2 :: 2.553 HG3 :: 2.413 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 :: 119.599 Ave N Shift Values>> N :: 120.67(3.48) 1.F61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.61 C 0.16 Y 0.11 F 0.1 C Shift Assignments>> C :: 176.425 CA :: 62.837 CB :: 38.658 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 :: 9.552 HA :: 3.922 HB2 :: 3.082 HB3 :: 3.035 HD1 :: 7.003 HD2 :: 7.003 HE1 :: 7.345 HE2 :: 7.345 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 :: 123.267 Ave N Shift Values>> N :: 120.45(4.18) 1.G62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.77 L 0.13 C 0.03 R 0.02 F 0.01 C Shift Assignments>> C :: 173.967 CA :: 45.076 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.944 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.658 Ave N Shift Values>> N :: 109.67(3.87) 1.T63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.93 C 0.06 C Shift Assignments>> C :: 173.136 CA :: 63.365 CB :: 69.304 CG2 :: 21.702 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 :: 7.401 HA :: 4.162 HB :: 3.821 HG21 :: 1.328 HG22 :: 1.328 HG23 :: 1.328 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 :: 118.611 Ave N Shift Values>> N :: 115.42(4.75) 1.K64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.19 K 0.19 M 0.16 R 0.13 H 0.11 E 0.08 Q 0.07 V 0.04 C Shift Assignments>> C :: 179.340 CA :: 57.471 CB :: 32.320 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 :: 9.111 HA :: 4.260 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 :: 124.822 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Y65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.57 C 0.19 Y 0.11 F 0.09 HN Overlap>> 1.A152 1.A152 C Shift Assignments>> C :: 178.738 CA :: 62.507 CB :: 37.963 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 :: 8.425 HA :: 4.116 HB2 :: 2.827 HB3 :: 2.827 HD1 :: 7.220 HD2 :: 7.220 HE1 :: 6.902 HE2 :: 6.902 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 :: 121.669 Ave N Shift Values>> N :: 120.52(4.2) 1.E66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 E 0.35 M 0.06 I 0.06 Q 0.06 K 0.05 C Shift Assignments>> C :: 177.207 CA :: 59.103 CB :: 30.360 CG :: 35.850 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 :: 9.634 HA :: 4.080 HB2 :: 1.925 HB3 :: 1.925 HG2 :: 2.383 HG3 :: 2.221 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 :: 116.712 Ave N Shift Values>> N :: 120.67(3.48) 1.D67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.27 Y 0.25 C 0.12 D 0.12 L 0.1 I 0.05 N 0.03 K 0.02 C Shift Assignments>> C :: 179.014 CA :: 57.141 CB :: 40.053 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 :: 7.040 HA :: 4.669 HB2 :: 2.841 HB3 :: 2.754 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 :: 120.415 Ave N Shift Values>> N :: 120.65(3.86) 1.I68 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.92 C 0.07 C Shift Assignments>> C :: 176.735 CA :: 65.709 CB :: 37.388 CG1 :: 27.654 CG2 :: 17.578 CD1 :: 13.583 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 :: 7.697 HA :: 3.228 HB :: 1.735 HG12 :: 1.331 HG13 :: -0.651(S) HG21 :: 0.483 HG22 :: 0.483 HG23 :: 0.483 HD11 :: 0.240 HD12 :: 0.240 HD13 :: 0.240 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 :: 124.493 Ave N Shift Values>> N :: 121.46(4.28) 1.Y69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.46 C 0.36 F 0.17 HN Overlap>> 1.N148 1.N148 C Shift Assignments>> C :: 176.572 CA :: 61.788 CB :: 38.291 CD1 :: 133.364 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 :: 8.572 HA :: 3.623 HB2 :: 3.521 HB3 :: 2.777 HD1 :: 6.917 HD2 :: 6.917 HE1 :: 6.851 HE2 :: 6.851 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 :: 120.107 Ave N Shift Values>> N :: 120.52(4.2) 1.R70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 R 0.4 K 0.07 G 0.06 HN Overlap>> 1.M165 1.T160 1.M165 1.T160 C Shift Assignments>> C :: 179.080 CA :: 59.118 CB :: 30.360 CG :: 28.066 CD :: 43.349 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 :: 7.929 HA :: 4.264 HB2 :: 2.101 HB3 :: 1.929 HG2 :: 1.927 HG3 :: 2.116 HD2 :: 3.415 HD3 :: 3.370 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 :: 116.652 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.D71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.24 L 0.16 F 0.16 R 0.13 Y 0.11 C 0.07 D 0.06 I 0.02 C Shift Assignments>> C :: 178.379 CA :: 57.828 CB :: 42.188 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 :: 7.969 HA :: 4.476 HB2 :: 2.800 HB3 :: 2.935 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 :: 120.897 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>> C 0.72 L 0.25 A 0.02 HN Overlap>> 1.N92 1.N92 C Shift Assignments>> C :: 178.966 CA :: 58.012 CB :: 39.930 CG :: 25.737 CD1 :: 26.418 CD2 :: 21.525 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 :: 8.285 HA :: 3.686 HB2 :: 0.641 HB3 :: 1.469 HG :: 1.672 HD11 :: 0.452 HD12 :: 0.452 HD13 :: 0.452 HD21 :: 0.129 HD22 :: 0.129 HD23 :: 0.129 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 :: 118.744 Ave N Shift Values>> N :: 121.86(3.9) 1.E73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 I 0.24 E 0.21 M 0.01 HN Overlap>> 1.N57 1.N164 1.N57 1.N164 C Shift Assignments>> C :: 177.500 CA :: 60.053 CB :: 30.335 CG :: 37.587 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 :: 8.686 HA :: 3.631 HB2 :: 2.154 HB3 :: 1.982 HG2 :: 2.153 HG3 :: 2.240 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 :: 118.950 Ave N Shift Values>> N :: 120.67(3.48) 1.S74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.002 CA :: 60.588 CB :: 63.409 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.836 HA :: 4.386 HB2 :: 4.144 HB3 :: 4.144 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 :: 111.722 Ave N Shift Values>> N :: 116.28(3.52) 1.K75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 K 0.39 R 0.11 C Shift Assignments>> C :: 177.907 CA :: 59.898 CB :: 33.979 CG :: 25.672 CD :: 29.312 CE :: 42.006 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 :: 7.855 HA :: 4.200 HB2 :: 2.011 HB3 :: 2.159 HG2 :: 1.737 HG3 :: 1.737 HD2 :: 1.501 HD3 :: 1.746 HE2 :: 3.042 HE3 :: 3.042 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 :: 123.667 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.27 L 0.2 F 0.14 Y 0.11 K 0.09 N 0.08 C 0.07 C Shift Assignments>> C :: 173.446 CA :: 55.249 CB :: 40.828 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 :: 7.993 HA :: 4.574 HB2 :: 2.931 HB3 :: 3.063 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 :: 114.447 Ave N Shift Values>> N :: 120.65(3.86) 1.K77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 K 0.37 R 0.05 C Shift Assignments>> C :: 179.112 CA :: 61.050 CB :: 32.300 CG :: 25.064 CD :: 29.985 CE :: 42.000 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 :: 8.876 HA :: 3.956 HB2 :: 2.388 HB3 :: 2.388 HG2 :: 1.447 HG3 :: 1.376 HD2 :: 1.810 HD3 :: 1.810 HE2 :: 3.053 HE3 :: 3.053 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 :: 128.277 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 I 0.28 E 0.27 K 0.03 Q 0.01 HN Overlap>> 1.N148 1.N148 C Shift Assignments>> C :: 178.917 CA :: 59.984 CB :: 29.200 CG :: 36.720 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 :: 8.653 HA :: 4.172 HB2 :: 2.179 HB3 :: 2.179 HG2 :: 2.390 HG3 :: 2.390 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 :: 119.982 Ave N Shift Values>> N :: 120.67(3.48) 1.F79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.39 F 0.38 C 0.22 C Shift Assignments>> C :: 177.891 CA :: 61.907 CB :: 39.693 CD1 :: 132.218 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 :: 8.574 HA :: 4.032 HB2 :: 2.457 HB3 :: 3.082 HD1 :: 6.229 HD2 :: 6.229 HE1 :: 7.029 HE2 :: 7.029 HZ :: 7.221 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 :: 123.621 Ave N Shift Values>> N :: 120.45(4.18) 1.Y80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.32 C 0.27 Y 0.16 F 0.1 E 0.09 V 0.02 M 0.01 C Shift Assignments>> C :: 176.719 CA :: 60.651 CB :: 37.050 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 :: 7.992 HA :: 4.828 HB2 :: 3.142 HB3 :: 2.535 HE1 :: 7.101 HE2 :: 7.101 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 :: 113.112 Ave N Shift Values>> N :: 120.52(4.2) 1.T81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.97 C 0.02 HN Overlap>> 1.F35 1.F35 C Shift Assignments>> C :: 177.858 CA :: 66.258 CB :: 68.498 CG2 :: 20.712 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 :: 7.866 HA :: 4.349 HB :: 4.500 HG21 :: 1.305 HG22 :: 1.305 HG23 :: 1.305 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 :: 118.052 Ave N Shift Values>> N :: 115.42(4.75) 1.Q82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 Q 0.23 K 0.21 R 0.1 E 0.03 I 0.02 M 0.01 C Shift Assignments>> C :: 177.093 CA :: 58.949 CB :: 27.945 CG :: 33.684 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 :: 8.320 HA :: 4.095 HB2 :: 2.176 HB3 :: 2.128 HG2 :: 2.629 HG3 :: 2.482 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 :: 122.852 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.N83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.61 C 0.17 M 0.05 E 0.03 Y 0.03 D 0.03 F 0.02 C Shift Assignments>> C :: 176.670 CA :: 51.886 CB :: 36.986 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 :: 7.702 HA :: 4.666 HB2 :: 3.117 HB3 :: 2.351 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 :: 114.267 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.G84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 L 0.07 C 0.03 C Shift Assignments>> C :: 176.002 CA :: 45.753 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.514 HA2 :: 4.297 HA3 :: 4.095 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.253 Ave N Shift Values>> N :: 109.67(3.87) 1.L85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.58 L 0.28 R 0.1 K 0.01 C Shift Assignments>> C :: 179.454 CA :: 58.656 CB :: 41.393 CG :: 28.326 CD1 :: 26.340 CD2 :: 24.314 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 :: 8.305 HA :: 4.342 HB2 :: 2.366 HB3 :: 1.465 HG :: 1.906 HD11 :: 1.247 HD12 :: 1.247 HD13 :: 1.247 HD21 :: 1.090 HD22 :: 1.090 HD23 :: 1.090 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 :: 123.996 Ave N Shift Values>> N :: 121.86(3.9) 1.L86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.8 L 0.18 HN Overlap>> 1.R186 1.R186 C Shift Assignments>> C :: 179.031 CA :: 58.936 CB :: 38.599 CG :: 27.100 CD1 :: 26.121 CD2 :: 22.483 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 :: 8.271 HA :: 4.042 HB2 :: 1.390 HB3 :: 1.726 HG :: 1.361 HD11 :: 0.754 HD12 :: 0.754 HD13 :: 0.754 HD21 :: 0.084 HD22 :: 0.084 HD23 :: 0.084 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 :: 117.599 Ave N Shift Values>> N :: 121.86(3.9) 1.H87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.27 E 0.13 R 0.12 V 0.11 H 0.1 Q 0.06 I 0.06 K 0.05 M 0.03 P 0.01 C Shift Assignments>> C :: 178.168 CA :: 60.054 CB :: 30.592 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 :: 8.286 HA :: 4.460 HB2 :: 3.236 HB3 :: 3.186 HD2 :: 7.065 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 :: 119.476 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.M88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.6 M 0.37 I 0.01 C Shift Assignments>> C :: 178.086 CA :: 59.284 CB :: 33.966 CG :: 31.127 CE :: 16.553 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 :: 7.973 HA :: 3.893 HB2 :: 2.407 HB3 :: 2.349 HG2 :: 2.225 HG3 :: 2.736 HE1 :: 2.106 HE2 :: 2.106 HE3 :: 2.106 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 :: 121.174 Ave N Shift Values>> N :: 120.09(3.57) 1.L89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 R 0.36 L 0.13 G 0.07 K 0.01 HN Overlap>> 1.H193 1.H193 C Shift Assignments>> C :: 178.656 CA :: 57.992 CB :: 43.446 CG :: 28.311 CD1 :: 27.295 CD2 :: 24.975 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 :: 8.443 HA :: 3.813 HB2 :: 1.589 HB3 :: 2.387 HG :: 1.898 HD11 :: 0.903 HD12 :: 0.903 HD13 :: 0.903 HD21 :: 1.171 HD22 :: 1.171 HD23 :: 1.171 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 :: 119.808 Ave N Shift Values>> N :: 121.86(3.9) 1.D90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.24 L 0.18 F 0.14 R 0.13 Y 0.1 D 0.07 C 0.06 I 0.01 C Shift Assignments>> C :: 177.109 CA :: 57.381 CB :: 42.181 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 :: 8.625 HA :: 4.228 HB2 :: 2.798 HB3 :: 2.919 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 :: 121.383 Ave N Shift Values>> N :: 120.65(3.86) 1.R91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 K 0.25 L 0.21 R 0.12 G 0.01 C Shift Assignments>> C :: 180.105 CA :: 59.170 CB :: 27.733 CG :: 25.872 CD :: 42.437 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 :: 7.867 HA :: 3.800 HB2 :: 2.095 HB3 :: 1.779 HG2 :: 1.328 HG3 :: 1.988 HD2 :: 3.040 HD3 :: 3.162 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 :: 119.477 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.N92 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.22 M 0.21 E 0.16 Q 0.15 K 0.12 Y 0.02 H 0.02 R 0.01 N 0.01 F 0.01 HN Overlap>> 1.L72 1.L72 C Shift Assignments>> C :: 176.377 CA :: 55.640 CB :: 35.033 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 :: 8.280 HA :: 3.797 HB2 :: 0.710(S) HB3 :: 2.156 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 :: 118.649 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.R93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 R 0.28 G 0.18 L 0.04 K 0.03 C Shift Assignments>> C :: 176.849 CA :: 57.422 CB :: 29.495 CG :: 25.842 CD :: 44.136 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 :: 8.126 HA :: 4.757 HB2 :: 2.172 HB3 :: 2.172 HG2 :: 2.141 HG3 :: 1.713 HD2 :: 2.750 HD3 :: 3.183 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 :: 116.910 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.R94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 R 0.41 G 0.08 K 0.06 C Shift Assignments>> C :: 177.061 CA :: 57.431 CB :: 29.899 CG :: 28.399 CD :: 43.528 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 :: 7.199 HA :: 4.179 HB2 :: 1.984 HB3 :: 2.136 HG2 :: 1.642 HG3 :: 1.837 HD2 :: 3.229 HD3 :: 3.127 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 :: 118.436 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.I95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.77 C 0.22 C Shift Assignments>> C :: 175.872 CA :: 63.838 CB :: 38.613 CG1 :: 28.208 CG2 :: 15.408 CD1 :: 13.874 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 :: 7.607 HA :: 3.815 HB :: 1.713 HG12 :: 1.665 HG13 :: 0.886 HG21 :: 0.167 HG22 :: 0.167 HG23 :: 0.167 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 :: 120.983 Ave N Shift Values>> N :: 121.46(4.28) 1.K96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.23 Q 0.21 K 0.19 C 0.17 R 0.07 H 0.06 E 0.02 V 0.01 C Shift Assignments>> C :: 173.625 CA :: 55.511 CB :: 33.436 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 :: 8.410 HA :: 4.734 HB2 :: 2.289 HB3 :: 2.289 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 :: 115.079 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 K 0.33 R 0.15 HN Overlap>> 1.R187 1.R187 C Shift Assignments>> C :: 179.177 CA :: 59.924 CB :: 34.355 CG :: 25.644 CD :: 29.901 CE :: 42.064 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 :: 8.214 HA :: 4.381 HB2 :: 2.071 HB3 :: 1.935 HG2 :: 1.716 HG3 :: 1.569 HD2 :: 1.817 HD3 :: 1.817 HE2 :: 3.065 HE3 :: 3.065 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 :: 114.267 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.C98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.18 H 0.18 R 0.17 C 0.15 K 0.1 Q 0.1 E 0.08 HN Overlap>> 1.S8 1.S8 C Shift Assignments>> CA :: 54.079 CB :: 31.178 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.365 HA :: 4.400 HB2 :: 2.514 HB3 :: 2.326 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 :: 114.051 Ave N Shift Values>> N :: 120.17(4.64) 1.P99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> V 0.41 P 0.29 C 0.2 K 0.02 R 0.01 H 0.01 C Shift Assignments>> CA :: 62.261 CB :: 32.448 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) 1.E100 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.99 C Shift Assignments>> C :: 174.162 CA :: 55.398 CB :: 36.091(S) CG :: 38.225 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 :: 9.261 HA :: 4.906 HB2 :: 2.139 HB3 :: 2.461 HG2 :: 2.266 HG3 :: 2.628 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 :: 123.787 Ave N Shift Values>> N :: 120.67(3.48) 1.R101 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.42 C 0.33 K 0.16 G 0.07 HN Overlap>> 1.L48 1.L48 C Shift Assignments>> C :: 178.233 CA :: 55.169 CB :: 31.189 CG :: 28.450 CD :: 43.332 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 :: 9.219 HA :: 4.405 HB2 :: 0.512(S) HB3 :: 1.598 HG2 :: 0.920 HG3 :: 0.920 HD2 :: 2.909 HD3 :: 2.909 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 :: 125.276 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.F102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.4 F 0.38 C 0.21 C Shift Assignments>> C :: 176.751 CA :: 61.719 CB :: 39.638 CD1 :: 130.983 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 :: 9.747 HA :: 3.357 HB2 :: 2.450 HB3 :: 2.847 HD1 :: 6.427 HD2 :: 6.427 HE1 :: 7.138 HE2 :: 7.138 HZ :: 7.475 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 :: 130.970 Ave N Shift Values>> N :: 120.45(4.18) 1.Q103 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.39 E 0.19 Q 0.13 I 0.12 K 0.11 R 0.02 C Shift Assignments>> C :: 174.765 CA :: 58.739 CB :: 27.723 CG :: 35.279 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 :: 10.545(S) HA :: 2.388(S) HB2 :: 1.396 HB3 :: 1.824 HG2 :: 2.778 HG3 :: 1.518 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 :: 117.288 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) SRO Rule Breaks>> (HA > HG2 : 1.0000) 1.D104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.3 D 0.23 R 0.14 K 0.12 F 0.05 C 0.04 Y 0.03 N 0.03 G 0.01 C Shift Assignments>> C :: 176.425 CA :: 53.966 CB :: 42.500 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 :: 6.832 HA :: 4.798 HB2 :: 2.457 HB3 :: 2.957 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 :: 114.168 Ave N Shift Values>> N :: 120.65(3.86) 1.T105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.81 C 0.18 C Shift Assignments>> C :: 173.853 CA :: 62.175 CB :: 70.047 CG2 :: 19.117 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 :: 7.172 HA :: 4.569 HB :: 3.909 HG21 :: 0.819 HG22 :: 0.819 HG23 :: 0.819 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 :: 115.372 Ave N Shift Values>> N :: 115.42(4.75) 1.K106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> K 0.54 C 0.35 R 0.09 C Shift Assignments>> C :: 177.082 CA :: 54.921 CB :: 32.168 CG :: 24.894 CD :: 28.514 CE :: 41.345 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>> HA :: 4.647 HB2 :: 2.075 HB3 :: 2.075 HG2 :: 1.531 HG3 :: 1.462 HD2 :: 1.702 HD3 :: 1.734 HE2 :: 3.053 HE3 :: 3.053 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) 1.E107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.32 M 0.17 Q 0.07 K 0.03 I 0.01 HN Overlap>> 1.D161 1.D161 C Shift Assignments>> C :: 174.097 CA :: 56.475 CB :: 30.869 CG :: 35.964 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 :: 8.053 HA :: 3.887 HB2 :: 1.812 HB3 :: 1.617 HG2 :: 2.229 HG3 :: 2.229 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 :: 122.520 Ave N Shift Values>> N :: 120.67(3.48) 1.Q108 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> M 0.46 C 0.26 Q 0.2 K 0.04 E 0.01 HN Overlap>> 1.F35 1.F35 C Shift Assignments>> C :: 174.488 CA :: 54.050 CB :: 31.365 CG :: 32.955 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 :: 7.784 HA :: 3.951 HB2 :: 1.303 HB3 :: 0.807(S) HG2 :: 1.875 HG3 :: 1.043(S) 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 :: 117.957 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.F109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.28 L 0.2 K 0.15 F 0.12 Y 0.08 C 0.06 D 0.05 G 0.02 I 0.01 C Shift Assignments>> C :: 173.641 CA :: 57.512 CB :: 42.865 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 :: 7.628 HA :: 4.644 HD1 :: 7.110 HD2 :: 7.110 HE1 :: 7.188 HE2 :: 7.188 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 :: 118.090 Ave N Shift Values>> N :: 120.45(4.18) 1.D110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.28 L 0.26 R 0.23 C 0.08 F 0.06 Y 0.03 D 0.02 C Shift Assignments>> C :: 177.663 CA :: 57.088 CB :: 44.382 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 :: 9.414 HA :: 5.222 HB2 :: 2.820 HB3 :: 3.024 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 :: 117.015 Ave N Shift Values>> N :: 120.65(3.86) 1.I111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.62 G 0.22 I 0.14 HN Overlap>> 1.F29 1.F29 C Shift Assignments>> C :: 173.706 CA :: 59.715 CB :: 43.798 CG1 :: 27.947 CG2 :: 18.136 CD1 :: 14.913 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 :: 7.925 HA :: 5.230 HB :: 1.669 HG12 :: 1.624 HG13 :: 1.164 HG21 :: 0.888 HG22 :: 0.888 HG23 :: 0.888 HD11 :: 0.897 HD12 :: 0.897 HD13 :: 0.897 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 :: 118.490 Ave N Shift Values>> N :: 121.46(4.28) 1.I112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.54 C 0.45 C Shift Assignments>> C :: 173.739 CA :: 60.080 CB :: 41.319 CG1 :: 27.592 CG2 :: 17.406 CD1 :: 14.665 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 :: 9.348 HA :: 4.760 HB :: 1.637 HG12 :: 0.755 HG13 :: 0.755 HG21 :: 0.504 HG22 :: 0.504 HG23 :: 0.504 HD11 :: 1.025 HD12 :: 1.025 HD13 :: 1.025 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 :: 127.648 Ave N Shift Values>> N :: 121.46(4.28) 1.V113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 V 0.48 C Shift Assignments>> C :: 175.237 CA :: 59.910 CB :: 34.064 CG1 :: 21.528 CG2 :: 22.025 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 :: 9.367 HA :: 5.445 HB :: 1.971 HG11 :: 0.920 HG12 :: 0.920 HG13 :: 0.920 HG21 :: 0.834 HG22 :: 0.834 HG23 :: 0.834 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 :: 127.409 Ave N Shift Values>> N :: 121.14(4.54) 1.T114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.75 C 0.24 C Shift Assignments>> C :: 175.676 CA :: 60.336 CB :: 70.431 CG2 :: 22.571 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 :: 9.848 HA :: 5.440 HB :: 4.304 HG21 :: 0.940 HG22 :: 0.940 HG23 :: 0.940 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 :: 118.757 Ave N Shift Values>> N :: 115.42(4.75) 1.V115 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Suspicious PRTL>> C 0.82 V 0.16 C Shift Assignments>> C :: 175.595 CA :: 60.558 CB :: 31.535 CG1 :: 19.888 CG2 :: 18.039 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 :: 6.663 HA :: 5.581 HB :: 2.809 HG11 :: 0.750 HG12 :: 0.750 HG13 :: 0.750 HG21 :: 1.092 HG22 :: 1.092 HG23 :: 1.092 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 :: 105.410(S) Ave N Shift Values>> N :: 121.14(4.54) 1.E116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.65 E 0.17 M 0.16 C Shift Assignments>> C :: 177.288 CA :: 56.552 CB :: 33.037 CG :: 37.332 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 :: 7.370 HA :: 5.012 HB2 :: 2.593 HB3 :: 2.464 HG2 :: 2.462 HG3 :: 2.381 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 :: 115.458 Ave N Shift Values>> N :: 120.67(3.48) 1.E117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 I 0.32 E 0.23 K 0.02 C Shift Assignments>> C :: 176.963 CA :: 60.645 CB :: 29.473 CG :: 36.737 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 :: 9.201 HA :: 3.751 HB2 :: 2.116 HB3 :: 2.076 HG2 :: 2.311 HG3 :: 2.238 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 :: 127.682 Ave N Shift Values>> N :: 120.67(3.48) 1.R118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 R 0.43 G 0.07 K 0.03 C Shift Assignments>> C :: 178.819 CA :: 59.321 CB :: 30.401 CG :: 27.416 CD :: 43.401 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 :: 8.869 HA :: 4.307 HB2 :: 1.985 HB3 :: 2.083 HG2 :: 1.793 HG3 :: 1.828 HD2 :: 3.411 HD3 :: 3.335 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 :: 116.718 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.V119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.9 C 0.09 C Shift Assignments>> C :: 177.126 CA :: 65.669 CB :: 32.154 CG1 :: 21.492 CG2 :: 22.225 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 :: 7.182 HA :: 3.806 HB :: 2.425 HG11 :: 0.992 HG12 :: 0.992 HG13 :: 0.992 HG21 :: 0.972 HG22 :: 0.972 HG23 :: 0.972 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 :: 119.573 Ave N Shift Values>> N :: 121.14(4.54) 1.Y120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.65 Y 0.29 F 0.05 HN Overlap>> 1.D144 1.E25 1.D144 1.E25 C Shift Assignments>> C :: 176.621 CA :: 62.767 CB :: 37.245 CD1 :: 134.069 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 :: 8.204 HA :: 3.925 HB2 :: 3.262 HB3 :: 3.373 HD1 :: 7.104 HD2 :: 7.104 HE1 :: 6.595 HE2 :: 6.595 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 :: 122.725 Ave N Shift Values>> N :: 120.52(4.2) 1.D121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.27 Y 0.25 C 0.12 D 0.1 L 0.1 I 0.06 K 0.03 N 0.02 C Shift Assignments>> C :: 179.503 CA :: 57.401 CB :: 40.198 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 :: 8.810 HA :: 4.249 HB2 :: 2.813 HB3 :: 2.647 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 :: 117.268 Ave N Shift Values>> N :: 120.65(3.86) 1.L122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.42 C 0.4 R 0.15 G 0.02 C Shift Assignments>> C :: 180.236 CA :: 58.310 CB :: 42.559 CG :: 27.313 CD1 :: 26.086 CD2 :: 23.219 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 :: 7.552 HA :: 4.236 HB2 :: 1.389 HB3 :: 2.204 HG :: 2.022 HD11 :: 0.995 HD12 :: 0.995 HD13 :: 0.995 HD21 :: 1.021 HD22 :: 1.021 HD23 :: 1.021 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 :: 120.658 Ave N Shift Values>> N :: 121.86(3.9) 1.V123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.92 C 0.07 C Shift Assignments>> C :: 177.630 CA :: 67.387 CB :: 31.254 CG1 :: 21.416 CG2 :: 23.168 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 :: 8.596 HA :: 3.452 HB :: 2.001 HG11 :: 0.516 HG12 :: 0.516 HG13 :: 0.516 HG21 :: 0.294 HG22 :: 0.294 HG23 :: 0.294 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 :: 123.233 Ave N Shift Values>> N :: 121.14(4.54) 1.V124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.95 C 0.04 C Shift Assignments>> C :: 177.940 CA :: 67.508 CB :: 31.547 CG1 :: 21.070 CG2 :: 21.672 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 :: 8.639 HA :: 3.261 HB :: 1.841 HG11 :: 0.761 HG12 :: 0.761 HG13 :: 0.761 HG21 :: 0.312 HG22 :: 0.312 HG23 :: 0.312 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 :: 120.236 Ave N Shift Values>> N :: 121.14(4.54) 1.M125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 M 0.43 C Shift Assignments>> C :: 179.340 CA :: 59.090 CB :: 33.366 CG :: 32.123 CE :: 16.998 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 :: 8.230 HA :: 4.188 HB2 :: 2.312 HB3 :: 2.200 HG2 :: 2.785 HG3 :: 2.666 HE1 :: 2.183 HE2 :: 2.183 HE3 :: 2.183 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 :: 117.240 Ave N Shift Values>> N :: 120.09(3.57) 1.H126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 V 0.21 R 0.09 K 0.08 E 0.08 H 0.07 M 0.05 P 0.05 Q 0.03 I 0.02 HN Overlap>> 1.M162 1.M162 C Shift Assignments>> C :: 178.966 CA :: 60.373 CB :: 31.545 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 :: 8.211 HA :: 4.421 HB2 :: 3.349 HB3 :: 3.430 HE1 :: 7.806 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 :: 119.753 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.M127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 M 0.45 A 0.01 C Shift Assignments>> C :: 179.747 CA :: 57.837 CB :: 31.698 CG :: 32.650 CE :: 16.573 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 :: 8.598 HA :: 4.158 HG2 :: 2.723 HG3 :: 2.723 HE1 :: 1.453 HE2 :: 1.453 HE3 :: 1.453 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 :: 118.318 Ave N Shift Values>> N :: 120.09(3.57) 1.E128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 E 0.28 I 0.21 K 0.01 M 0.01 HN Overlap>> 1.N57 1.N164 1.N57 1.N164 C Shift Assignments>> C :: 177.696 CA :: 58.789 CB :: 29.737 CG :: 37.597 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 :: 8.782 HA :: 4.189 HB2 :: 2.177 HB3 :: 2.075 HG2 :: 2.570 HG3 :: 2.253 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 :: 118.863 Ave N Shift Values>> N :: 120.67(3.48) 1.S129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.934 CA :: 59.859 CB :: 63.866 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.590 HA :: 4.425 HB2 :: 4.055 HB3 :: 4.055 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 :: 113.880 Ave N Shift Values>> N :: 116.28(3.52) 1.M130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.47 C 0.28 A 0.23 C Shift Assignments>> C :: 175.318 CA :: 54.861 CB :: 34.069 CG :: 31.675 CE :: 17.481 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 :: 7.265 HA :: 4.516 HB2 :: 2.163 HB3 :: 2.062 HG2 :: 2.559 HG3 :: 2.476 HE1 :: 2.073 HE2 :: 2.073 HE3 :: 2.073 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 :: 122.239 Ave N Shift Values>> N :: 120.09(3.57) 1.E131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.42 C 0.34 M 0.08 K 0.06 Q 0.04 I 0.03 C Shift Assignments>> C :: 176.523 CA :: 56.396 CB :: 30.124 CG :: 36.419 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 :: 8.465 HA :: 4.289 HB2 :: 2.011 HB3 :: 2.011 HG2 :: 2.266 HG3 :: 2.349 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 :: 122.550 Ave N Shift Values>> N :: 120.67(3.48) 1.S132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.569 CA :: 58.713 CB :: 63.171 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.641 HA :: 4.445 HB2 :: 3.822 HB3 :: 3.822 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 :: 121.030 Ave N Shift Values>> N :: 116.28(3.52) 1.V133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.72 C 0.27 C Shift Assignments>> C :: 176.393 CA :: 63.154 CB :: 34.433 CG1 :: 21.452 CG2 :: 20.390 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 :: 9.496 HA :: 4.335 HB :: 2.138 HG11 :: 0.981 HG12 :: 0.981 HG13 :: 0.981 HG21 :: 1.006 HG22 :: 1.006 HG23 :: 1.006 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 :: 124.403 Ave N Shift Values>> N :: 121.14(4.54) 1.D134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.27 K 0.19 D 0.17 R 0.14 F 0.08 Y 0.05 C 0.04 N 0.01 C Shift Assignments>> C :: 176.670 CA :: 55.472 CB :: 42.293 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 :: 9.225 HA :: 4.843 HB2 :: 2.454 HB3 :: 2.770 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 :: 122.875 Ave N Shift Values>> N :: 120.65(3.86) 1.N135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.36 C 0.18 Y 0.11 E 0.09 F 0.08 D 0.05 M 0.05 L 0.01 I 0.01 C Shift Assignments>> C :: 173.885 CA :: 54.373 CB :: 37.500 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 :: 9.125 HA :: 4.261 HB2 :: 3.045 HB3 :: 2.764 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 :: 120.170 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.R136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.39 C 0.31 R 0.27 K 0.01 C Shift Assignments>> C :: 173.348 CA :: 52.856 CB :: 33.098 CG :: 26.994 CD :: 44.033 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 :: 7.912 HA :: 5.174 HB2 :: 1.844 HB3 :: 1.982 HG2 :: 1.767 HG3 :: 1.871 HD2 :: 3.250 HD3 :: 3.096 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 :: 121.512 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.P137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.55 C 0.44 C Shift Assignments>> C :: 176.339 CA :: 62.321 CB :: 32.917 CG :: 27.493 CD :: 51.481 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 :: 4.551 HB2 :: 1.554 HB3 :: 1.851 HG2 :: 2.243 HG3 :: 2.333 HD2 :: 4.057 HD3 :: 4.210 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.V138 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.83 V 0.15 C Shift Assignments>> C :: 172.697 CA :: 59.204 CB :: 34.256 CG1 :: 18.968 CG2 :: 22.778 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 :: 8.825 HA :: 4.576 HB :: 2.339 HG11 :: 0.324 HG12 :: 0.324 HG13 :: 0.324 HG21 :: 0.784 HG22 :: 0.784 HG23 :: 0.784 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 :: 122.324 Ave N Shift Values>> N :: 121.14(4.54) 1.H139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.21 M 0.21 K 0.19 C 0.18 R 0.06 H 0.06 E 0.02 V 0.01 C Shift Assignments>> C :: 173.804 CA :: 56.306 CB :: 33.548 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 :: 7.594 HA :: 4.869 HB2 :: 3.094 HB3 :: 2.842 HD2 :: 6.983 HE1 :: 8.073 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 :: 125.775 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.V140 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.57 C 0.42 C Shift Assignments>> C :: 175.269 CA :: 61.045 CB :: 32.551 CG1 :: 22.122 CG2 :: 21.837 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 :: 9.304 HA :: 5.260 HB :: 1.939 HG11 :: 0.776 HG12 :: 0.776 HG13 :: 0.776 HG21 :: 0.769 HG22 :: 0.769 HG23 :: 0.769 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 :: 125.942 Ave N Shift Values>> N :: 121.14(4.54) 1.L141 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.57 C 0.37 L 0.05 C Shift Assignments>> C :: 174.423 CA :: 53.297 CB :: 46.512 CG :: 28.141 CD1 :: 27.004 CD2 :: 26.601 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 :: 9.545 HA :: 5.948(S) HB2 :: 1.636 HB3 :: 1.419 HG :: 1.768 HD11 :: 0.863 HD12 :: 0.863 HD13 :: 0.863 HD21 :: 0.854 HD22 :: 0.854 HD23 :: 0.854 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 :: 127.984 Ave N Shift Values>> N :: 121.86(3.9) 1.N142 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.3 D 0.27 R 0.14 K 0.07 N 0.04 C 0.04 F 0.03 G 0.03 Y 0.02 C Shift Assignments>> C :: 173.413 CA :: 52.643 CB :: 42.658 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 :: 8.734 HA :: 5.472 HB2 :: 1.975 HB3 :: 2.146 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 :: 119.190 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.V143 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.51 C 0.48 C Shift Assignments>> C :: 172.876 CA :: 60.286 CB :: 33.757 CG1 :: 20.615 CG2 :: 21.420 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 :: 8.452 HA :: 4.098 HB :: 1.842 HG11 :: 0.776 HG12 :: 0.776 HG13 :: 0.776 HG21 :: 0.797 HG22 :: 0.797 HG23 :: 0.797 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 :: 125.804 Ave N Shift Values>> N :: 121.14(4.54) 1.D144 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.23 K 0.22 D 0.15 F 0.11 R 0.08 Y 0.08 C 0.05 N 0.01 HN Overlap>> 1.E25 1.Y120 1.E25 1.Y120 C Shift Assignments>> C :: 177.272 CA :: 56.103 CB :: 41.930 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 :: 8.122 HA :: 4.457 HB2 :: 2.495 HB3 :: 2.603 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 :: 122.788 Ave N Shift Values>> N :: 120.65(3.86) 1.V145 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 V 0.47 C Shift Assignments>> C :: 175.872 CA :: 61.831 CB :: 36.079 CG1 :: 22.094 CG2 :: 21.168 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 :: 9.238 HA :: 4.239 HB :: 2.108 HG11 :: 1.172 HG12 :: 1.172 HG13 :: 1.172 HG21 :: 1.044 HG22 :: 1.044 HG23 :: 1.044 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 :: 126.878 Ave N Shift Values>> N :: 121.14(4.54) 1.V146 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.75 C 0.24 C Shift Assignments>> C :: 175.937 CA :: 63.508 CB :: 32.003 CG1 :: 22.440 CG2 :: 22.256 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 :: 9.514 HA :: 4.113 HB :: 2.128 HG11 :: 1.097 HG12 :: 1.097 HG13 :: 1.097 HG21 :: 1.102 HG22 :: 1.102 HG23 :: 1.102 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 :: 130.960 Ave N Shift Values>> N :: 121.14(4.54) 1.D147 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.42 D 0.18 Y 0.1 C 0.1 F 0.1 L 0.05 C Shift Assignments>> C :: 175.155 CA :: 53.942 CB :: 38.851 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 :: 8.693 HA :: 4.492 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 :: 123.358 Ave N Shift Values>> N :: 120.65(3.86) 1.N148 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.34 N 0.3 L 0.14 F 0.06 C 0.06 Y 0.05 K 0.01 HN Overlap>> 1.E78 1.Y69 1.E78 1.Y69 C Shift Assignments>> C :: 175.497 CA :: 52.879 CB :: 40.385 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 :: 8.625 HA :: 4.816 HB2 :: 3.009 HB3 :: 3.119 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 :: 120.055 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.A149 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> A 0.44 M 0.43 C 0.05 I 0.03 V 0.01 C Shift Assignments>> CA :: 55.494 CB :: 18.938 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> HA :: 4.323 HB1 :: 1.552 HB2 :: 1.552 HB3 :: 1.552 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) 1.E150 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 E 0.3 I 0.23 K 0.02 M 0.01 C Shift Assignments>> C :: 179.080 CA :: 59.766 CB :: 29.698 CG :: 36.937 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 :: 8.603 HA :: 4.205 HB2 :: 2.183 HB3 :: 2.118 HG2 :: 2.378 HG3 :: 2.378 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 :: 119.570 Ave N Shift Values>> N :: 120.67(3.48) 1.D151 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.2 L 0.18 F 0.18 Y 0.14 D 0.13 C 0.07 R 0.03 I 0.02 N 0.01 C Shift Assignments>> CA :: 56.874 CB :: 41.393 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 :: 9.122 HA :: 4.813 HB2 :: 2.696 HB3 :: 3.010 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 :: 121.306 Ave N Shift Values>> N :: 120.65(3.86) 1.A152 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.55 M 0.34 C 0.04 I 0.02 L 0.01 V 0.01 HN Overlap>> 1.Y65 1.Y65 C Shift Assignments>> C :: 180.138 CA :: 55.116 CB :: 19.175 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.425 HA :: 4.257 HB1 :: 1.600 HB2 :: 1.600 HB3 :: 1.600 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.710 Ave N Shift Values>> N :: 123.23(3.54) 1.L153 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.51 C 0.43 R 0.05 C Shift Assignments>> C :: 177.793 CA :: 57.976 CB :: 41.818 CG :: 27.364 CD1 :: 24.381 CD2 :: 25.349 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 :: 7.514 HA :: 4.125 HB2 :: 1.757 HB3 :: 1.939 HG :: 1.602 HD11 :: 1.021 HD12 :: 1.021 HD13 :: 1.021 HD21 :: 1.052 HD22 :: 1.052 HD23 :: 1.052 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 :: 119.699 Ave N Shift Values>> N :: 121.86(3.9) 1.M154 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 M 0.46 A 0.01 C Shift Assignments>> C :: 179.780 CA :: 57.830 CB :: 31.734 CG :: 32.469 CE :: 17.265 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 :: 7.701 HA :: 4.459 HB2 :: 2.310 HB3 :: 2.310 HG2 :: 2.796 HG3 :: 2.796 HE1 :: 2.181 HE2 :: 2.181 HE3 :: 2.181 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 :: 117.324 Ave N Shift Values>> N :: 120.09(3.57) 1.G155 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 C 0.06 L 0.05 C Shift Assignments>> C :: 174.455 CA :: 47.005 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.375 HA2 :: 3.882 HA3 :: 3.716 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.099 Ave N Shift Values>> N :: 109.67(3.87) 1.A156 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.65 A 0.25 I 0.06 C 0.02 C Shift Assignments>> C :: 180.350 CA :: 55.695 CB :: 17.759 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.946 HA :: 3.887 HB1 :: 1.246 HB2 :: 1.246 HB3 :: 1.246 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.085 Ave N Shift Values>> N :: 123.23(3.54) 1.F157 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.38 F 0.35 C 0.25 C Shift Assignments>> C :: 178.428 CA :: 60.862 CB :: 38.410 CD1 :: 131.673 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 :: 7.849 HA :: 4.214 HB2 :: 3.381 HB3 :: 3.353 HD1 :: 7.253 HD2 :: 7.253 HE1 :: 7.271 HE2 :: 7.271 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 :: 119.857 Ave N Shift Values>> N :: 120.45(4.18) 1.V158 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.92 C 0.07 C Shift Assignments>> C :: 177.793 CA :: 66.828 CB :: 31.912 CG1 :: 22.001 CG2 :: 22.893 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 :: 8.150 HA :: 3.848 HB :: 2.383 HG11 :: 1.127 HG12 :: 1.127 HG13 :: 1.127 HG21 :: 1.252 HG22 :: 1.252 HG23 :: 1.252 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 :: 120.546 Ave N Shift Values>> N :: 121.14(4.54) 1.I159 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.94 C 0.05 C Shift Assignments>> C :: 177.288 CA :: 66.237 CB :: 38.560 CG2 :: 17.232 CD1 :: 13.552 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 :: 8.896 HA :: 3.463 HB :: 1.817 HG21 :: 0.783 HG22 :: 0.783 HG23 :: 0.783 HD11 :: 0.673 HD12 :: 0.673 HD13 :: 0.673 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 :: 120.202 Ave N Shift Values>> N :: 121.46(4.28) 1.T160 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.97 C 0.02 HN Overlap>> 1.R70 1.R70 C Shift Assignments>> C :: 175.595 CA :: 67.504 CB :: 68.023 CG2 :: 21.633 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 :: 8.003 HA :: 4.317 HB :: 3.701 HG21 :: 1.302 HG22 :: 1.302 HG23 :: 1.302 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 :: 116.708 Ave N Shift Values>> N :: 115.42(4.75) 1.D161 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.22 Y 0.18 K 0.17 L 0.15 D 0.1 C 0.09 I 0.03 R 0.01 N 0.01 HN Overlap>> 1.K9 1.K9 1.E107 1.E107 C Shift Assignments>> C :: 178.331 CA :: 57.434 CB :: 41.141 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 :: 8.032 HA :: 4.527 HB2 :: 3.037 HB3 :: 2.986 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 :: 122.426 Ave N Shift Values>> N :: 120.65(3.86) 1.M162 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.6 M 0.38 HN Overlap>> 1.H126 1.H126 C Shift Assignments>> C :: 178.005 CA :: 59.558 CB :: 33.080 CG :: 31.363 CE :: 17.562 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 :: 8.180 HA :: 3.464 HB2 :: 1.492 HB3 :: 1.966 HG2 :: 1.547 HG3 :: 1.742 HE1 :: 1.672 HE2 :: 1.672 HE3 :: 1.672 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 :: 119.798 Ave N Shift Values>> N :: 120.09(3.57) 1.I163 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 I 0.47 C Shift Assignments>> C :: 177.484 CA :: 62.801 CB :: 35.213 CG1 :: 27.880 CG2 :: 17.615 CD1 :: 10.706 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 :: 8.464 HA :: 3.506 HB :: 1.710 HG12 :: 1.551 HG13 :: 1.143 HG21 :: 0.251 HG22 :: 0.251 HG23 :: 0.251 HD11 :: 0.550 HD12 :: 0.550 HD13 :: 0.550 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 :: 119.196 Ave N Shift Values>> N :: 121.46(4.28) 1.N164 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.28 F 0.26 C 0.15 D 0.09 I 0.06 L 0.06 N 0.05 E 0.01 HN Overlap>> 1.E73 1.N57 1.E73 1.N57 1.E128 1.E128 C Shift Assignments>> C :: 177.696 CA :: 57.043 CB :: 39.206 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 :: 8.736 HA :: 4.574 HB2 :: 3.048 HB3 :: 3.048 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 :: 118.907 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.M165 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 M 0.44 HN Overlap>> 1.R70 1.R70 C Shift Assignments>> C :: 179.161 CA :: 58.856 CB :: 32.564 CG :: 32.394 CE :: 17.421 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 :: 7.865 HA :: 4.209 HB2 :: 2.278 HB3 :: 2.370 HG2 :: 2.699 HG3 :: 2.888 HE1 :: 2.148 HE2 :: 2.148 HE3 :: 2.148 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 :: 116.607 Ave N Shift Values>> N :: 120.09(3.57) 1.M166 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.82 M 0.15 I 0.01 HN Overlap>> 1.D175 1.D175 C Shift Assignments>> C :: 178.135 CA :: 59.185 CB :: 31.721 CG :: 34.255 CE :: 18.510 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 :: 8.226 HA :: 3.919 HG2 :: 2.779 HG3 :: 2.323 HE1 :: 1.764 HE2 :: 1.764 HE3 :: 1.764 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 :: 119.137 Ave N Shift Values>> N :: 120.09(3.57) 1.A167 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.69 M 0.26 C 0.02 C Shift Assignments>> C :: 177.907 CA :: 53.960 CB :: 18.766 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.780 HA :: 4.227 HB1 :: 1.734 HB2 :: 1.734 HB3 :: 1.734 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.410 Ave N Shift Values>> N :: 123.23(3.54) 1.K168 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.48 C 0.42 R 0.08 C Shift Assignments>> C :: 177.207 CA :: 56.643 CB :: 32.947 CG :: 25.293 CE :: 41.876 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 :: 7.313 HA :: 4.344 HG2 :: 1.778 HG3 :: 1.611 HE2 :: 3.062 HE3 :: 3.062 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 :: 114.965 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.S169 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.539 CA :: 58.737 CB :: 63.643 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.230 HA :: 4.461 HB2 :: 3.836 HB3 :: 3.972 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 :: 113.454 Ave N Shift Values>> N :: 116.28(3.52) 1.T170 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> T 0.89 C 0.1 C Shift Assignments>> CA :: 62.202 CB :: 69.001 CG2 :: 21.993 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 :: 4.517 HB :: 4.595 HG21 :: 1.321 HG22 :: 1.321 HG23 :: 1.321 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.D171 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.33 N 0.3 L 0.13 F 0.07 C 0.06 Y 0.06 K 0.01 C Shift Assignments>> C :: 175.302 CA :: 53.217 CB :: 40.210 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 :: 8.441 HA :: 4.756 HB2 :: 2.829 HB3 :: 2.588 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 :: 123.719 Ave N Shift Values>> N :: 120.65(3.86) 1.L172 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 L 0.45 R 0.03 C Shift Assignments>> C :: 178.037 CA :: 58.775 CB :: 41.686 CG :: 27.236 CD1 :: 23.546 CD2 :: 25.296 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 :: 8.778 HA :: 4.090 HB2 :: 1.659 HB3 :: 1.786 HG :: 1.426 HD11 :: 0.932 HD12 :: 0.932 HD13 :: 0.932 HD21 :: 0.895 HD22 :: 0.895 HD23 :: 0.895 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 :: 126.895 Ave N Shift Values>> N :: 121.86(3.9) 1.D173 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.26 Y 0.23 L 0.12 C 0.11 K 0.09 D 0.09 I 0.06 N 0.01 C Shift Assignments>> C :: 178.493 CA :: 57.763 CB :: 40.714 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 :: 8.517 HA :: 4.417 HB2 :: 2.840 HB3 :: 2.734 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 :: 115.533 Ave N Shift Values>> N :: 120.65(3.86) 1.N174 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.28 N 0.16 L 0.15 F 0.14 Y 0.12 C 0.08 K 0.02 I 0.01 C Shift Assignments>> C :: 176.181 CA :: 54.929 CB :: 40.201 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 :: 7.411 HA :: 4.853 HB2 :: 2.669 HB3 :: 2.827 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 :: 114.679 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.D175 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.23 D 0.21 K 0.19 F 0.11 Y 0.08 C 0.05 R 0.04 N 0.03 HN Overlap>> 1.M166 1.M166 C Shift Assignments>> C :: 178.575 CA :: 55.478 CB :: 41.577 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 :: 8.175 HA :: 4.824 HB2 :: 2.766 HB3 :: 2.615 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 :: 119.137 Ave N Shift Values>> N :: 120.65(3.86) 1.I176 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.87 C 0.12 C Shift Assignments>> C :: 175.204 CA :: 65.284 CB :: 37.446 CG1 :: 29.209 CG2 :: 17.044 CD1 :: 13.945 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 :: 8.419 HA :: 3.826 HB :: 1.937 HG12 :: 1.107 HG13 :: 0.846 HG21 :: 0.859 HG22 :: 0.859 HG23 :: 0.859 HD11 :: 0.371 HD12 :: 0.371 HD13 :: 0.371 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 :: 120.200 Ave N Shift Values>> N :: 121.46(4.28) 1.D177 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.3 Y 0.27 C 0.13 I 0.1 L 0.07 D 0.06 K 0.03 C Shift Assignments>> C :: 179.226 CA :: 58.218 CB :: 40.216 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 :: 8.214 HA :: 4.347 HB2 :: 2.711 HB3 :: 2.773 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 :: 122.104 Ave N Shift Values>> N :: 120.65(3.86) 1.E178 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 E 0.31 I 0.23 K 0.03 M 0.01 C Shift Assignments>> C :: 179.275 CA :: 59.375 CB :: 29.435 CG :: 37.000 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 :: 8.156 HA :: 4.180 HB2 :: 2.170 HB3 :: 2.170 HG2 :: 2.383 HG3 :: 2.383 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 :: 120.850 Ave N Shift Values>> N :: 120.67(3.48) 1.L179 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.44 C 0.43 R 0.1 C Shift Assignments>> C :: 179.340 CA :: 58.250 CB :: 42.009 CG :: 26.819 CD1 :: 26.762 CD2 :: 23.594 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 :: 8.067 HA :: 4.214 HB2 :: 1.460 HB3 :: 1.929 HG :: 1.858 HD11 :: 0.854 HD12 :: 0.854 HD13 :: 0.854 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 :: 121.655 Ave N Shift Values>> N :: 121.86(3.9) 1.I180 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.89 C 0.1 C Shift Assignments>> C :: 177.696 CA :: 66.283 CB :: 37.772 CG1 :: 29.713 CG2 :: 17.774 CD1 :: 14.124 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 :: 8.749 HA :: 3.516 HB :: 1.951 HG12 :: 0.755 HG13 :: 1.628 HG21 :: 0.941 HG22 :: 0.941 HG23 :: 0.941 HD11 :: 0.502 HD12 :: 0.502 HD13 :: 0.502 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 :: 119.358 Ave N Shift Values>> N :: 121.46(4.28) 1.Q181 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 K 0.21 Q 0.21 E 0.1 I 0.05 R 0.03 HN Overlap>> 1.A52 1.A52 C Shift Assignments>> C :: 178.982 CA :: 59.374 CB :: 28.622 CG :: 34.333 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 :: 7.728 HA :: 4.301 HB2 :: 2.284 HB3 :: 2.284 HG2 :: 2.529 HG3 :: 2.670 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 :: 118.797 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.E182 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.22 I 0.15 K 0.14 E 0.13 Q 0.1 H 0.1 R 0.08 M 0.01 V 0.01 C Shift Assignments>> C :: 178.852 CA :: 59.485 CB :: 28.968 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 :: 8.069 HA :: 4.188 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 :: 120.028 Ave N Shift Values>> N :: 120.67(3.48) 1.F183 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.38 Y 0.36 C 0.24 C Shift Assignments>> C :: 178.103 CA :: 62.685 CB :: 39.481 CD1 :: 131.950 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 :: 8.558 HA :: 4.033 HB2 :: 3.138 HB3 :: 3.210 HD1 :: 7.282 HD2 :: 7.282 HE1 :: 7.298 HE2 :: 7.298 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 :: 121.475 Ave N Shift Values>> N :: 120.45(4.18) 1.E184 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 I 0.27 E 0.15 M 0.01 C Shift Assignments>> C :: 180.285 CA :: 60.421 CB :: 30.444 CG :: 37.828 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 :: 9.205 HA :: 4.111 HB2 :: 2.084 HB3 :: 2.429 HG2 :: 2.802 HG3 :: 2.516 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 :: 120.942 Ave N Shift Values>> N :: 120.67(3.48) 1.E185 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.2 E 0.15 K 0.13 H 0.11 Q 0.11 R 0.11 I 0.09 M 0.02 V 0.02 C Shift Assignments>> C :: 178.607 CA :: 59.090 CB :: 29.417 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 :: 7.864 HA :: 4.159 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 :: 118.876 Ave N Shift Values>> N :: 120.67(3.48) 1.R186 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.22 E 0.15 R 0.15 H 0.13 K 0.09 Q 0.08 M 0.07 V 0.06 I 0.02 HN Overlap>> 1.L86 1.L86 C Shift Assignments>> C :: 178.559 CA :: 58.913 CB :: 30.897 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 :: 8.178 HA :: 4.204 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 :: 117.629 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.R187 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.47 C 0.3 K 0.16 L 0.02 G 0.01 HN Overlap>> 1.K97 1.K97 C Shift Assignments>> C :: 175.546 CA :: 54.411 CB :: 29.887 CG :: 26.824 CD :: 42.395 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 :: 8.266 HA :: 4.399 HB2 :: 1.818 HB3 :: 1.897 HG2 :: 1.330 HG3 :: 1.330 HD2 :: 3.088 HD3 :: 3.024 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 :: 114.167 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.K188 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 L 0.19 R 0.13 K 0.13 C Shift Assignments>> C :: 175.400 CA :: 56.524 CB :: 28.893 CG :: 24.884 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 :: 7.871 HA :: 4.072 HB2 :: 1.672 HB3 :: 1.776 HG2 :: 1.362 HG3 :: 1.407 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 :: 117.221 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.R189 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 R 0.28 G 0.16 K 0.09 C Shift Assignments>> C :: 174.488 CA :: 53.981 CB :: 34.222 CG :: 27.381 CD :: 43.434 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 :: 7.527 HA :: 4.755 HB2 :: 1.525 HB3 :: 1.965 HG2 :: 1.711 HG3 :: 1.674 HD2 :: 3.368 HD3 :: 3.131 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 :: 116.578 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.V190 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.69 C 0.3 C Shift Assignments>> C :: 176.084 CA :: 62.577 CB :: 33.043 CG1 :: 21.113 CG2 :: 21.592 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 :: 8.109 HA :: 4.122 HB :: 1.929 HG11 :: 0.908 HG12 :: 0.908 HG13 :: 0.908 HG21 :: 1.007 HG22 :: 1.007 HG23 :: 1.007 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 :: 121.277 Ave N Shift Values>> N :: 121.14(4.54) 1.I191 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.56 C 0.42 C Shift Assignments>> C :: 175.937 CA :: 58.951 CB :: 39.246 CG1 :: 27.803 CG2 :: 17.652 CD1 :: 13.207 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 :: 9.787 HA :: 4.883 HB :: 1.964 HG12 :: 1.578 HG13 :: 1.407 HG21 :: 0.849 HG22 :: 0.849 HG23 :: 0.849 HD11 :: 0.860 HD12 :: 0.860 HD13 :: 0.860 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 :: 131.740 Ave N Shift Values>> N :: 121.46(4.28) 1.L192 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.65 C 0.2 A 0.12 R 0.01 C Shift Assignments>> C :: 175.742 CA :: 54.133 CB :: 41.883 CG :: 26.051 CD1 :: 25.257 CD2 :: 22.377 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 :: 7.441 HA :: 4.526 HB2 :: 1.028 HB3 :: 0.773 HG :: 1.625 HD11 :: 0.471 HD12 :: 0.471 HD13 :: 0.471 HD21 :: 0.757 HD22 :: 0.757 HD23 :: 0.757 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 :: 126.597 Ave N Shift Values>> N :: 121.86(3.9) 1.H193 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.24 E 0.22 M 0.16 N 0.15 Y 0.06 K 0.05 Q 0.03 F 0.03 HN Overlap>> 1.L89 1.L89 C Shift Assignments>> C :: 174.227 CA :: 54.461 CB :: 36.082 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 :: 8.409 HA :: 6.246(S) HB2 :: 2.958 HB3 :: 3.015 HD2 :: 6.979 HE1 :: 7.888 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 :: 119.717 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.S194 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.65 S 0.34 C Shift Assignments>> C :: 171.150 CA :: 58.198 CB :: 67.357 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.296 HA :: 4.473 HB2 :: 3.651 HB3 :: 3.449 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 :: 122.715 Ave N Shift Values>> N :: 116.28(3.52) 1.V195 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 :: 174.553 CA :: 61.562 CB :: 32.338 CG1 :: 20.858 CG2 :: 21.615 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 :: 8.275 HA :: 4.435 HB :: 1.809 HG11 :: 0.437 HG12 :: 0.437 HG13 :: 0.437 HG21 :: 0.786 HG22 :: 0.786 HG23 :: 0.786 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 :: 123.302 Ave N Shift Values>> N :: 121.14(4.54) 1.L196 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.39 L 0.27 C 0.16 R 0.14 A 0.01 C Shift Assignments>> C :: 173.739 CA :: 52.317 CB :: 44.116 CG :: 28.112 CD1 :: 26.851 CD2 :: 24.313 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 :: 8.324 HA :: 4.583 HB2 :: 1.526 HB3 :: 1.185 HG :: 1.532 HD11 :: 0.883 HD12 :: 0.883 HD13 :: 0.883 HD21 :: 0.911 HD22 :: 0.911 HD23 :: 0.911 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 :: 130.177 Ave N Shift Values>> N :: 121.86(3.9) 1.F197 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.47 Y 0.34 C 0.16 G 0.01 C Shift Assignments>> C :: 176.914 CA :: 57.197 CB :: 42.336 CD1 :: 131.729 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 :: 7.978 HA :: 5.296 HB2 :: 2.921 HB3 :: 2.731 HD1 :: 6.921 HD2 :: 6.921 HE1 :: 7.225 HE2 :: 7.225 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 :: 114.277 Ave N Shift Values>> N :: 120.45(4.18) 1.Y198 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.5 F 0.25 C 0.24 C Shift Assignments>> C :: 182.190(S) CA :: 60.430 CB :: 40.481 CD1 :: 133.390 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 :: 9.018 HA :: 4.521 HB2 :: 3.479 HB3 :: 2.717 HD1 :: 7.145 HD2 :: 7.145 HE1 :: 7.287 HE2 :: 7.287 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 :: 128.898 Ave N Shift Values>> N :: 120.52(4.2) 2.PO41 Overall Status: Residue type PO4 not supported. ########################################################################### Overall Results: #Consistent: 184 #Clerical: 0 #Suspicious: 14 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 194 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 4 Shift Relative Order (SRO) Results: #Consistent: 197 #Suspicious: 1 C Shift Results: #Consistent: 788 #Duplicate: 0 #Unknown: 0 #Suspicious: 3 #Anomalous: 0 H Shift Results: #Consistent:1273 #Duplicate: 0 #Unknown: 0 #Suspicious: 14 #Anomalous: 0 N Shift Results: #Consistent: 176 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 Error Summary: 1.A13 HB1 = 0.154(S), Expected = 1.35, Std = 0.2600, ChiSquare = 4.2249e-06 1.A13 HB2 = 0.154(S), Expected = 1.35, Std = 0.2600, ChiSquare = 4.2249e-06 1.A13 HB3 = 0.154(S), Expected = 1.35, Std = 0.2600, ChiSquare = 4.2249e-06 1.N21 HB2 = 3.892(S), Expected = 2.81, Std = 0.3100, ChiSquare = 4.8244e-04 1.Y40 CB = 47.169(S), Expected = 39.32, Std = 2.1600, ChiSquare = 2.7928e-04 1.G41 HA2 = 5.556(S), Expected = 3.97, Std = 0.3700, ChiSquare = 1.8152e-05 1.I68 HG13 = -0.651(S), Expected = 1.19, Std = 0.4100, ChiSquare = 7.1142e-06 1.N92 HB2 = 0.710(S), Expected = 2.81, Std = 0.3100, ChiSquare = 1.2510e-11 1.E100 CB = 36.091(S), Expected = 30.01, Std = 1.7200, ChiSquare = 4.0706e-04 1.R101 HB2 = 0.512(S), Expected = 1.79, Std = 0.2700, ChiSquare = 2.2086e-06 1.Q103 H = 10.545(S), Expected = 8.22, Std = 0.5900, ChiSquare = 8.1252e-05 1.Q103 HA = 2.388(S), Expected = 4.27, Std = 0.4400, ChiSquare = 1.8920e-05 1.Q103 SRO Rule Break>> HA > HG2 : 1 1.Q108 HB3 = 0.807(S), Expected = 2.02, Std = 0.2800, ChiSquare = 1.4767e-05 1.Q108 HG3 = 1.043(S), Expected = 2.29, Std = 0.2900, ChiSquare = 1.7080e-05 1.V115 N = 105.410(S), Expected = 121.14, Std = 4.5400, ChiSquare = 5.3071e-04 1.L141 HA = 5.948(S), Expected = 4.32, Std = 0.4700, ChiSquare = 5.3254e-04 1.H193 HA = 6.246(S), Expected = 4.61, Std = 0.4300, ChiSquare = 1.4200e-04 1.Y198 C = 182.190(S), Expected = 175.40, Std = 1.9900, ChiSquare = 6.4474e-04