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.H2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> H 0.18 R 0.18 E 0.14 C 0.14 Q 0.13 M 0.11 K 0.08 C Shift Assignments>> C :: 174.987 CA :: 56.062 CB :: 30.669 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) 1.M3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.45 C 0.32 Q 0.17 K 0.02 E 0.01 C Shift Assignments>> C :: 175.883 CA :: 55.578 CB :: 32.953 CG :: 31.952 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 :: 8.505 HA :: 4.41 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 :: 122.362 Ave N Shift Values>> N :: 120.09(3.57) 1.L4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.65 C 0.27 R 0.03 A 0.01 G 0.01 C Shift Assignments>> C :: 176.993 CA :: 55.254 CB :: 42.361 CG :: 26.895 CD1 :: 24.892 CD2 :: 23.489 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 :: 8.364 HA :: 4.284 HB2 :: 1.868 HB3 :: 1.547 HG :: 1.868 HD11 :: 0.894 HD12 :: 0.894 HD13 :: 0.894 HD21 :: 0.847 HD22 :: 0.847 HD23 :: 0.847 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 123.762 Ave N Shift Values>> N :: 121.86(3.9) 1.H5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.18 Q 0.16 R 0.15 E 0.15 C 0.13 K 0.12 M 0.07 C Shift Assignments>> C :: 175.029 CA :: 55.902 CB :: 29.858 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 :: 8.358 HA :: 4.004 HB2 :: 1.977 HB3 :: 1.977 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 :: 119.729 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.Q6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.3 K 0.25 C 0.23 E 0.09 M 0.07 R 0.02 C Shift Assignments>> C :: 175.945 CA :: 56.025 CB :: 29.544 CG :: 33.974 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 :: 8.314 HA :: 4.258 HB2 :: 1.972 HB3 :: 1.972 HG2 :: 2.368 HG3 :: 2.368 HE21 :: 7.57 HE22 :: 6.865 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 121.612 NE2 :: 112.18 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.K7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 K 0.33 R 0.18 G 0.05 C Shift Assignments>> C :: 176.208 CA :: 56.695 CB :: 33.078 CG :: 24.965 CD :: 29.3 CE :: 43.284 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 :: 8.445 HA :: 4.228 HB2 :: 2.184 HB3 :: 2.184 HG2 :: 1.633 HG3 :: 1.633 HD2 :: 1.9 HD3 :: 1.9 HE2 :: 3.147 HE3 :: 3.147 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 :: 122.553 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.N8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.67 D 0.18 C 0.13 C Shift Assignments>> C :: 175.331 CA :: 53.398 CB :: 38.596 CG :: 176.978 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 :: 8.432 HA :: 4.703 HB2 :: 2.853 HB3 :: 2.791 HD21 :: 7.584 HD22 :: 6.89 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 :: 119.311 ND2 :: 112.571 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.63 C 0.3 R 0.03 G 0.01 A 0.01 C Shift Assignments>> C :: 177.571 CA :: 55.707 CB :: 42.27 CG :: 26.813 CD1 :: 24.9 CD2 :: 23.586 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 :: 8.195 HA :: 4.274 HB2 :: 1.618 HB3 :: 1.618 HG :: 1.96 HD11 :: 0.852 HD12 :: 0.852 HD13 :: 0.852 HD21 :: 0.852 HD22 :: 0.852 HD23 :: 0.852 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 :: 122.819 Ave N Shift Values>> N :: 121.86(3.9) 1.Q10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.27 C 0.24 K 0.23 E 0.17 M 0.03 R 0.02 I 0.01 HN Overlap>> 1.K44 1.K44 1.L45 1.L45 C Shift Assignments>> C :: 175.836 CA :: 56.219 CB :: 29.146 CG :: 34.621 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 :: 8.27 HA :: 4.224 HB2 :: 2.039 HB3 :: 2.039 HG2 :: 2.355 HG3 :: 2.355 HE21 :: 7.316 HE22 :: 6.645 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 120.308 NE2 :: 111.024 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.A11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.85 M 0.11 C 0.01 C Shift Assignments>> C :: 177.432 CA :: 52.624 CB :: 19.06 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.078 HA :: 4.269 HB1 :: 1.356 HB2 :: 1.356 HB3 :: 1.356 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.219 Ave N Shift Values>> N :: 123.23(3.54) 1.M12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.5 C 0.32 A 0.16 HN Overlap>> 1.M91 1.M91 C Shift Assignments>> C :: 175.801 CA :: 55.204 CB :: 32.971 CG :: 32.217 CE :: 17.08 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 :: 8.141 HA :: 4.426 HB2 :: 1.986 HB3 :: 1.986 HG2 :: 2.506 HG3 :: 2.506 HE1 :: 2.081 HE2 :: 2.081 HE3 :: 2.081 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 :: 119.375 Ave N Shift Values>> N :: 120.09(3.57) 1.L13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.75 C 0.15 A 0.06 R 0.01 C Shift Assignments>> C :: 174.963 CA :: 52.813 CB :: 41.66 CG :: 27.049 CD1 :: 25.3 CD2 :: 23.27 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 :: 8.162 HA :: 4.606 HB2 :: 1.476 HB3 :: 1.605 HG :: 1.67 HD11 :: 0.877 HD12 :: 0.877 HD13 :: 0.877 HD21 :: 0.842 HD22 :: 0.842 HD23 :: 0.842 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 124.611 Ave N Shift Values>> N :: 121.86(3.9) 1.P14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.66 C 0.33 C Shift Assignments>> C :: 176.47 CA :: 62.477 CB :: 31.974 CG :: 27.335 CD :: 51.118 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 :: 4.475 HB2 :: 1.826 HB3 :: 2.236 HG2 :: 1.886 HG3 :: 2.003 HD2 :: 3.596 HD3 :: 3.811 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.T15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.86 C 0.13 HN Overlap>> 1.E62 1.E62 C Shift Assignments>> C :: 172.712 CA :: 60.899 CB :: 69.713 CG2 :: 21.758 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 :: 8.381 HA :: 4.373 HB :: 4.006 HG21 :: 1.263 HG22 :: 1.263 HG23 :: 1.263 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 119.471 Ave N Shift Values>> N :: 115.42(4.75) 1.P16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.71 C 0.28 C Shift Assignments>> C :: 174.471 CA :: 62.806 CB :: 32.293 CG :: 27.169 CD :: 50.187 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 :: 4.476 HB2 :: 1.769 HB3 :: 1.769 HG2 :: 1.983 HG3 :: 1.983 HD2 :: 3.707 HD3 :: 3.976 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.T17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.59 C 0.39 C Shift Assignments>> C :: 173.939 CA :: 58.996 CB :: 71.955 CG2 :: 21.93 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 :: 6.887 HA :: 4.547 HB :: 4.41 HG21 :: 1.19 HG22 :: 1.19 HG23 :: 1.19 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 :: 107.525 Ave N Shift Values>> N :: 115.42(4.75) 1.V18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.62 C 0.37 C Shift Assignments>> C :: 174.735 CA :: 69.413 CB :: 29.764 CG1 :: 21.944 CG2 :: 25.014 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 :: 9.265 HA :: 3.764 HB :: 2.34 HG11 :: 0.999 HG12 :: 0.999 HG13 :: 0.999 HG21 :: 1.189 HG22 :: 1.189 HG23 :: 1.189 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 :: 121.444 Ave N Shift Values>> N :: 121.14(4.54) 1.P19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.78 C 0.21 C Shift Assignments>> C :: 179.893 CA :: 66.223 CB :: 31.346 CG :: 28.555 CD :: 49.719 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 :: 4.23 HB2 :: 1.754 HB3 :: 2.325 HG2 :: 1.998 HG3 :: 2.097 HD2 :: 3.802 HD3 :: 3.802 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.L20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.55 C 0.39 R 0.04 G 0.01 C Shift Assignments>> C :: 179.272 CA :: 58.141 CB :: 42.247 CG :: 26.895 CD1 :: 25.142 CD2 :: 24.044 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 :: 7.237 HA :: 4.053 HB2 :: 1.579 HB3 :: 1.809 HG :: 1.96 HD11 :: 0.939 HD12 :: 0.939 HD13 :: 0.939 HD21 :: 0.859 HD22 :: 0.859 HD23 :: 0.859 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 :: 117.518 Ave N Shift Values>> N :: 121.86(3.9) 1.L21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 L 0.35 R 0.2 G 0.01 C Shift Assignments>> C :: 179.53 CA :: 57.669 CB :: 42.421 CG :: 27.145 CD1 :: 27.128 CD2 :: 22.878 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 :: 8.079 HA :: 4.158 HB2 :: 1.217 HB3 :: 2.03 HG :: 1.94 HD11 :: 0.899 HD12 :: 0.899 HD13 :: 0.899 HD21 :: 0.885 HD22 :: 0.885 HD23 :: 0.885 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 :: 119.797 Ave N Shift Values>> N :: 121.86(3.9) 1.L22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.54 C 0.42 R 0.02 C Shift Assignments>> C :: 179.168 CA :: 58.194 CB :: 41.411 CG :: 26.769 CD1 :: 25.928 CD2 :: 24 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 :: 8.719 HA :: 3.899 HB2 :: 1.453 HB3 :: 1.861 HG :: 1.752 HD11 :: 0.817 HD12 :: 0.817 HD13 :: 0.817 HD21 :: 0.872 HD22 :: 0.872 HD23 :: 0.872 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 :: 118.72 Ave N Shift Values>> N :: 121.86(3.9) 1.R23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 R 0.38 G 0.12 K 0.01 C Shift Assignments>> C :: 179.218 CA :: 59.546 CB :: 29.703 CG :: 27.324 CD :: 43.75 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 :: 7.672 HA :: 4.138 HB2 :: 1.992 HB3 :: 2.093 HG2 :: 1.584 HG3 :: 1.648 HD2 :: 3.207 HD3 :: 3.207 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 :: 119.951 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.D24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.29 Y 0.27 C 0.13 L 0.08 I 0.08 D 0.07 K 0.02 N 0.01 C Shift Assignments>> C :: 178.867 CA :: 57.863 CB :: 40.116 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 :: 7.761 HA :: 4.407 HB2 :: 2.434 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) N Shift Assignments>> N :: 121.624 Ave N Shift Values>> N :: 120.65(3.86) 1.I25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.67 C 0.32 C Shift Assignments>> C :: 179.442 CA :: 65.892 CB :: 38.137 CG1 :: 31.415 CG2 :: 17.582 CD1 :: 14.747 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 :: 8.645 HA :: 3.459 HB :: 1.931 HG12 :: 0.865 HG13 :: 1.831 HG21 :: 0.874 HG22 :: 0.874 HG23 :: 0.874 HD11 :: 0.708 HD12 :: 0.708 HD13 :: 0.708 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 :: 120.584 Ave N Shift Values>> N :: 121.46(4.28) 1.D26 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 :: 179.012 CA :: 58.257 CB :: 40.258 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 :: 8.714 HA :: 4.454 HB2 :: 2.727 HB3 :: 2.847 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 :: 125.243 Ave N Shift Values>> N :: 120.65(3.86) 1.K27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 K 0.42 R 0.09 C Shift Assignments>> C :: 179.926 CA :: 60.029 CB :: 32.463 CG :: 25.386 CD :: 29.379 CE :: 42.045 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 :: 8.061 HA :: 4.088 HB2 :: 1.885 HB3 :: 1.992 HG2 :: 1.475 HG3 :: 1.623 HD2 :: 1.753 HD3 :: 1.753 HE2 :: 2.924 HE3 :: 2.924 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 121.235 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.56 C 0.38 R 0.03 C Shift Assignments>> C :: 180.468 CA :: 57.512 CB :: 42.116 CG :: 26.854 CD1 :: 25.091 CD2 :: 22.72 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 :: 8.529 HA :: 3.966 HB2 :: 0.826 HB3 :: 1.678 HG :: 1.657 HD11 :: 0.354 HD12 :: 0.354 HD13 :: 0.354 HD21 :: 0.669 HD22 :: 0.669 HD23 :: 0.669 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 :: 119.671 Ave N Shift Values>> N :: 121.86(3.9) 1.T29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.97 C 0.02 C Shift Assignments>> C :: 176.184 CA :: 67.907 CB :: 68.389 CG2 :: 20.723 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 :: 8.968 HA :: 3.742 HB :: 4.513 HG1 :: 4.912 HG21 :: 1.196 HG22 :: 1.196 HG23 :: 1.196 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 123.061 Ave N Shift Values>> N :: 115.42(4.75) 1.C30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.49 I 0.37 C 0.11 C Shift Assignments>> C :: 177.025 CA :: 63.623 CB :: 26.21 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.03 HA :: 4.165 HB2 :: 3.087 HB3 :: 3.016 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 :: 123.359 Ave N Shift Values>> N :: 120.17(4.64) 1.L31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.54 C 0.39 G 0.03 R 0.03 HN Overlap>> 1.Q71 1.Q71 C Shift Assignments>> C :: 179.038 CA :: 58.148 CB :: 42.793 CG :: 26.973 CD1 :: 24.587 CD2 :: 24.245 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 :: 7.926 HA :: 4.155 HB2 :: 1.726 HB3 :: 1.726 HG :: 1.624 HD11 :: 0.952 HD12 :: 0.952 HD13 :: 0.952 HD21 :: 0.92 HD22 :: 0.92 HD23 :: 0.92 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 :: 119.773 Ave N Shift Values>> N :: 121.86(3.9) 1.T32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.92 C 0.07 C Shift Assignments>> C :: 175.913 CA :: 67.765 CB :: 68.725 CG2 :: 23.256 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 :: 8.26 HA :: 3.827 HB :: 4.181 HG1 :: 4.97 HG21 :: 1.333 HG22 :: 1.333 HG23 :: 1.333 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 :: 115.861 Ave N Shift Values>> N :: 115.42(4.75) 1.S33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.734 CA :: 62.76 CB :: 62.529 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.693 HA :: 4.119 HB2 :: 3.931 HB3 :: 3.931 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 :: 117.686 Ave N Shift Values>> N :: 116.28(3.52) 1.E34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 E 0.32 I 0.19 K 0.07 Q 0.03 M 0.01 C Shift Assignments>> C :: 179.293 CA :: 59.543 CB :: 29.192 CG :: 36.2 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 :: 8.043 HA :: 4.025 HB2 :: 2.203 HB3 :: 2.203 HG2 :: 2.352 HG3 :: 2.352 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 :: 122.917 Ave N Shift Values>> N :: 120.67(3.48) 1.R35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 R 0.38 G 0.12 K 0.02 HN Overlap>> 1.V86 1.V86 C Shift Assignments>> C :: 179.522 CA :: 59.346 CB :: 30.584 CG :: 27.66 CD :: 43.777 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 :: 7.788 HA :: 4.141 HB2 :: 2.012 HB3 :: 2.012 HG2 :: 1.7 HG3 :: 1.7 HD2 :: 3.157 HD3 :: 3.157 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 :: 119.534 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.L36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.46 C 0.36 R 0.15 G 0.01 C Shift Assignments>> C :: 178.276 CA :: 57.04 CB :: 42.457 CG :: 27.437 CD1 :: 25.467 CD2 :: 25.869 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 :: 8.342 HA :: 3.998 HB2 :: 1.784 HB3 :: 1.614 HG :: 1.664 HD11 :: 0.978 HD12 :: 0.978 HD13 :: 0.978 HD21 :: 0.937 HD22 :: 0.937 HD23 :: 0.937 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 :: 121.933 Ave N Shift Values>> N :: 121.86(3.9) 1.K37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 K 0.41 R 0.12 C Shift Assignments>> C :: 178.177 CA :: 59.463 CB :: 32.255 CG :: 25.403 CD :: 29.434 CE :: 42.186 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 :: 7.508 HA :: 3.952 HB2 :: 1.914 HB3 :: 1.914 HG2 :: 1.424 HG3 :: 1.641 HD2 :: 1.692 HD3 :: 1.692 HE2 :: 2.974 HE3 :: 2.927 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 :: 117.741 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.N38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 N 0.24 L 0.14 F 0.1 Y 0.08 C 0.07 K 0.01 C Shift Assignments>> C :: 175.159 CA :: 53.997 CB :: 40.163 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 :: 7.091 HA :: 4.777 HB2 :: 2.809 HB3 :: 2.951 HD21 :: 7.585 HD22 :: 7.002 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 113.233 ND2 :: 113.667 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.Q39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.33 C 0.22 K 0.19 M 0.12 E 0.1 C Shift Assignments>> C :: 172.261 CA :: 53.904 CB :: 29.857 CG :: 34.352 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 :: 7.619 HA :: 4.793 HB2 :: 2.185 HB3 :: 1.956 HG2 :: 2.36 HG3 :: 2.36 HE21 :: 7.401 HE22 :: 6.818 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 119.684 NE2 :: 112.168 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.P40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.84 C 0.15 C Shift Assignments>> C :: 177.642 CA :: 64.615 CB :: 32.226 CG :: 27.309 CD :: 50.188 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 :: 4.576 HB2 :: 2.284 HB3 :: 1.868 HG2 :: 1.865 HG3 :: 1.995 HD2 :: 3.298 HD3 :: 3.554 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.N41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.59 D 0.15 C 0.08 F 0.05 Y 0.05 L 0.03 C Shift Assignments>> C :: 175.024 CA :: 52.394 CB :: 38.736 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 :: 8.465 HA :: 4.756 HB2 :: 2.749 HB3 :: 2.982 HD21 :: 7.581 HD22 :: 6.976 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 :: 114.478 ND2 :: 113.955 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.D42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.28 R 0.2 D 0.15 K 0.15 F 0.07 Y 0.04 C 0.04 N 0.01 G 0.01 C Shift Assignments>> C :: 176.276 CA :: 55.317 CB :: 42.629 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 :: 7.452 HA :: 4.468 HB2 :: 2.616 HB3 :: 3.049 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 :: 121.127 Ave N Shift Values>> N :: 120.65(3.86) 1.E43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 E 0.36 I 0.13 K 0.05 Q 0.03 M 0.02 C Shift Assignments>> C :: 179.024 CA :: 59.272 CB :: 29.841 CG :: 36.3 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 :: 8.875 HA :: 3.933 HB2 :: 2.056 HB3 :: 2.056 HG2 :: 2.368 HG3 :: 2.368 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 128.009 Ave N Shift Values>> N :: 120.67(3.48) 1.K44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 K 0.4 R 0.12 HN Overlap>> 1.Q10 1.Q10 C Shift Assignments>> C :: 180.148 CA :: 59.623 CB :: 31.565 CG :: 25.586 CD :: 29.21 CE :: 41.992 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 :: 8.3 HA :: 4.127 HB2 :: 1.832 HB3 :: 2.108 HG2 :: 1.432 HG3 :: 1.589 HD2 :: 1.719 HD3 :: 1.719 HE2 :: 3.02 HE3 :: 3.02 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 :: 120.351 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.47 C 0.37 R 0.12 G 0.01 HN Overlap>> 1.Q10 1.Q10 C Shift Assignments>> C :: 179.009 CA :: 57.775 CB :: 42.328 CG :: 27.05 CD1 :: 26.253 CD2 :: 23.378 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 :: 8.169 HA :: 4.043 HB2 :: 1.323 HB3 :: 2.091 HG :: 1.836 HD11 :: 0.946 HD12 :: 0.946 HD13 :: 0.946 HD21 :: 0.981 HD22 :: 0.981 HD23 :: 0.981 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 :: 120.344 Ave N Shift Values>> N :: 121.86(3.9) 1.K46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 K 0.28 R 0.19 G 0.01 C Shift Assignments>> C :: 179.938 CA :: 60.652 CB :: 32.316 CG :: 26.244 CD :: 29.669 CE :: 42.201 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 :: 7.743 HA :: 3.887 HB2 :: 1.869 HB3 :: 1.869 HG2 :: 1.377 HG3 :: 1.687 HD2 :: 1.667 HD3 :: 1.667 HE2 :: 2.932 HE3 :: 2.932 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 :: 117.803 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.M47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 M 0.45 A 0.01 HN Overlap>> 1.M91 1.M91 C Shift Assignments>> C :: 178.463 CA :: 58.274 CB :: 31.593 CG :: 32.348 CE :: 17.08 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 :: 7.997 HA :: 4.275 HB2 :: 2.229 HB3 :: 2.229 HG2 :: 2.68 HG3 :: 2.68 HE1 :: 2.081 HE2 :: 2.081 HE3 :: 2.081 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 :: 119.353 Ave N Shift Values>> N :: 120.09(3.57) 1.K48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 R 0.31 K 0.07 G 0.02 HN Overlap>> 1.R92 1.R92 C Shift Assignments>> C :: 178.556 CA :: 60.946 CB :: 32.976 CG :: 27.346 CD :: 29.825 CE :: 42.532 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 :: 7.967 HA :: 3.841 HB2 :: 1.944 HB3 :: 2.217 HG2 :: 1.732 HG3 :: 1.732 HD2 :: 1.517 HD3 :: 1.517 HE2 :: 3.152 HE3 :: 3.152 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 :: 120.667 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.51 C 0.43 R 0.04 C Shift Assignments>> C :: 179.723 CA :: 58.236 CB :: 41.734 CG :: 27.1 CD1 :: 24.432 CD2 :: 25.537 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 :: 7.877 HA :: 4.165 HB2 :: 1.74 HB3 :: 1.74 HG :: 1.945 HD11 :: 0.962 HD12 :: 0.962 HD13 :: 0.962 HD21 :: 0.926 HD22 :: 0.926 HD23 :: 0.926 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 :: 117.994 Ave N Shift Values>> N :: 121.86(3.9) 1.L50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.55 C 0.42 R 0.01 C Shift Assignments>> C :: 179.82 CA :: 58.273 CB :: 41.614 CG :: 27 CD1 :: 24.339 CD2 :: 24.726 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 :: 7.703 HA :: 4.211 HB2 :: 1.884 HB3 :: 1.884 HG :: 1.69 HD11 :: 0.917 HD12 :: 0.917 HD13 :: 0.917 HD21 :: 0.917 HD22 :: 0.917 HD23 :: 0.917 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 :: 121.791 Ave N Shift Values>> N :: 121.86(3.9) 1.V51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.91 C 0.08 C Shift Assignments>> C :: 178.487 CA :: 66.784 CB :: 31.864 CG1 :: 21.244 CG2 :: 23.023 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 :: 8.366 HA :: 3.777 HB :: 2.348 HG11 :: 1.054 HG12 :: 1.054 HG13 :: 1.054 HG21 :: 1.126 HG22 :: 1.126 HG23 :: 1.126 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 :: 121.478 Ave N Shift Values>> N :: 121.14(4.54) 1.L52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.51 C 0.46 R 0.01 C Shift Assignments>> C :: 178.461 CA :: 58.616 CB :: 41.418 CG :: 27.335 CD1 :: 25.037 CD2 :: 23.776 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 :: 8.255 HA :: 3.893 HB2 :: 1.419 HB3 :: 2.024 HG :: 2.02 HD11 :: 0.744 HD12 :: 0.744 HD13 :: 0.744 HD21 :: 0.562 HD22 :: 0.562 HD23 :: 0.562 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 :: 119.283 Ave N Shift Values>> N :: 121.86(3.9) 1.S53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.369 CA :: 61.734 CB :: 62.958 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.987 HA :: 4.148 HB2 :: 4.076 HB3 :: 4.076 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 :: 113.762 Ave N Shift Values>> N :: 116.28(3.52) 1.Q54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 Q 0.22 K 0.19 E 0.07 R 0.06 I 0.05 C Shift Assignments>> C :: 179.439 CA :: 59.182 CB :: 28.034 CG :: 34.2 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 :: 8.21 HA :: 4.087 HB2 :: 2.146 HB3 :: 2.146 HG2 :: 2.308 HG3 :: 2.505 HE21 :: 7.05 HE22 :: 6.755 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 123.031 NE2 :: 109.554 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.5 C 0.44 R 0.03 C Shift Assignments>> C :: 178.501 CA :: 57.831 CB :: 41.663 CG :: 26.347 CD1 :: 26.203 CD2 :: 22.373 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 :: 8.665 HA :: 4.116 HB2 :: 1.31 HB3 :: 1.962 HG :: 2.14 HD11 :: 0.858 HD12 :: 0.858 HD13 :: 0.858 HD21 :: 0.948 HD22 :: 0.948 HD23 :: 0.948 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 :: 120.749 Ave N Shift Values>> N :: 121.86(3.9) 1.K56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.6 K 0.26 R 0.12 HN Overlap>> 1.Q84 1.Q84 C Shift Assignments>> C :: 178.049 CA :: 60.551 CB :: 32.522 CD :: 27.581 CE :: 41.705 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 :: 8.176 HA :: 3.71 HB2 :: 1.96 HB3 :: 1.96 HG2 :: 1.357 HG3 :: 1.357 HD2 :: 1.659 HD3 :: 1.659 HE2 :: 2.892 HE3 :: 2.892 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 :: 118.482 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Q57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.32 Q 0.25 K 0.24 E 0.07 R 0.06 I 0.02 M 0.01 C Shift Assignments>> C :: 179.479 CA :: 58.68 CB :: 28.399 CG :: 34 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 :: 7.507 HA :: 3.963 HB2 :: 2.214 HB3 :: 2.214 HG2 :: 2.457 HG3 :: 2.457 HE21 :: 7.557 HE22 :: 6.872 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 :: 115.339 NE2 :: 112.158 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.E58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 E 0.26 K 0.14 Q 0.11 I 0.1 M 0.01 HN Overlap>> 1.L87 1.L87 C Shift Assignments>> C :: 178.309 CA :: 59.265 CB :: 29.013 CG :: 35.4 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 :: 7.949 HA :: 4.033 HB2 :: 2.188 HB3 :: 2.188 HG2 :: 2.32 HG3 :: 2.32 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 :: 120.919 Ave N Shift Values>> N :: 120.67(3.48) 1.L59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.44 C 0.36 R 0.15 K 0.01 C Shift Assignments>> C :: 177.246 CA :: 56.084 CB :: 41.834 CG :: 27.111 CD1 :: 27.438 CD2 :: 24.131 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 :: 7.61 HA :: 4.168 HB2 :: 1.554 HB3 :: 1.967 HG :: 1.946 HD11 :: 0.846 HD12 :: 0.846 HD13 :: 0.846 HD21 :: 0.882 HD22 :: 0.882 HD23 :: 0.882 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 :: 115.006 Ave N Shift Values>> N :: 121.86(3.9) 1.K60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.46 C 0.39 R 0.13 C Shift Assignments>> C :: 177.303 CA :: 56.447 CB :: 32.662 CG :: 25.315 CD :: 29.124 CE :: 42.031 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 :: 7.415 HA :: 4.278 HB2 :: 1.993 HB3 :: 1.777 HG2 :: 1.446 HG3 :: 1.671 HD2 :: 1.64 HD3 :: 1.64 HE2 :: 2.926 HE3 :: 2.926 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 116.526 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.R61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 R 0.4 K 0.09 G 0.08 C Shift Assignments>> C :: 176.169 CA :: 57.3 CB :: 31.36 CG :: 28 CD :: 43.6 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 :: 7.399 HA :: 4.183 HB2 :: 1.862 HB3 :: 1.862 HG2 :: 1.709 HG3 :: 1.709 HD2 :: 3.247 HD3 :: 3.247 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 :: 119.858 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.E62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.39 C 0.36 M 0.11 Q 0.04 K 0.04 I 0.02 HN Overlap>> 1.T15 1.T15 C Shift Assignments>> C :: 176.276 CA :: 57.188 CB :: 30.584 CG :: 36.3 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 :: 8.312 HA :: 4.202 HB2 :: 2.01 HB3 :: 2.01 HG2 :: 2.304 HG3 :: 2.304 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 :: 119.525 Ave N Shift Values>> N :: 120.67(3.48) 1.K63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.44 C 0.36 R 0.18 C Shift Assignments>> C :: 175.629 CA :: 55.951 CB :: 31.344 CG :: 25.187 CD :: 29.193 CE :: 42.204 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.434 HA :: 4.237 HB2 :: 1.811 HB3 :: 1.811 HG2 :: 1.354 HG3 :: 1.404 HD2 :: 1.697 HD3 :: 1.697 HE2 :: 3.003 HE3 :: 3.003 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 :: 118.467 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.53 C 0.23 R 0.12 G 0.09 C Shift Assignments>> C :: 177.515 CA :: 54.901 CB :: 43.504 CG :: 27.172 CD1 :: 25.917 CD2 :: 24.545 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 :: 8.001 HA :: 4.46 HB2 :: 1.45 HB3 :: 1.647 HG :: 1.671 HD11 :: 0.93 HD12 :: 0.93 HD13 :: 0.93 HD21 :: 0.864 HD22 :: 0.864 HD23 :: 0.864 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 :: 123.829 Ave N Shift Values>> N :: 121.86(3.9) 1.T65 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 :: 174.959 CA :: 60.14 CB :: 71.503 CG2 :: 22.033 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 :: 7.744 HA :: 4.433 HB :: 4.707 HG21 :: 1.367 HG22 :: 1.367 HG23 :: 1.367 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 :: 113.276 Ave N Shift Values>> N :: 115.42(4.75) 1.L66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 L 0.48 C Shift Assignments>> C :: 179.189 CA :: 58.303 CB :: 40.968 CG :: 27.25 CD1 :: 23.442 CD2 :: 25.035 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 :: 8.715 HA :: 4.133 HB2 :: 1.747 HB3 :: 1.747 HG :: 1.638 HD11 :: 1.048 HD12 :: 1.048 HD13 :: 1.048 HD21 :: 0.99 HD22 :: 0.99 HD23 :: 0.99 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 :: 121.933 Ave N Shift Values>> N :: 121.86(3.9) 1.N67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.25 C 0.2 F 0.19 N 0.09 E 0.08 I 0.05 D 0.05 M 0.02 L 0.02 C Shift Assignments>> C :: 177.736 CA :: 56.552 CB :: 38.084 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 :: 8.468 HA :: 4.357 HB2 :: 2.764 HB3 :: 2.73 HD21 :: 7.63 HD22 :: 6.967 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 115.863 ND2 :: 113.007 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.A68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.47 M 0.43 C 0.03 I 0.03 C Shift Assignments>> C :: 180.825 CA :: 55.224 CB :: 18.741 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.832 HA :: 4.175 HB1 :: 1.565 HB2 :: 1.565 HB3 :: 1.565 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.664 Ave N Shift Values>> N :: 123.23(3.54) 1.L69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.56 C 0.41 R 0.01 HN Overlap>> 1.R90 1.R90 C Shift Assignments>> C :: 179.233 CA :: 58.228 CB :: 41.544 CG :: 26.395 CD1 :: 25.719 CD2 :: 24.556 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 :: 8.185 HA :: 3.877 HB2 :: 1.312 HB3 :: 2.015 HG :: 1.728 HD11 :: 0.83 HD12 :: 0.83 HD13 :: 0.83 HD21 :: 0.738 HD22 :: 0.738 HD23 :: 0.738 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 :: 119.641 Ave N Shift Values>> N :: 121.86(3.9) 1.K70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 R 0.3 K 0.15 G 0.05 C Shift Assignments>> C :: 179.339 CA :: 59.881 CB :: 32.095 CG :: 26.259 CD :: 29.427 CE :: 43.209 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.56 HA :: 4.003 HB2 :: 1.981 HB3 :: 1.981 HG2 :: 1.446 HG3 :: 1.675 HD2 :: 1.729 HD3 :: 1.729 HE2 :: 3.175 HE3 :: 3.175 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 :: 118.971 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Q71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 Q 0.22 K 0.2 E 0.07 R 0.06 I 0.05 HN Overlap>> 1.L31 1.L31 C Shift Assignments>> C :: 179.034 CA :: 59.2 CB :: 28.078 CG :: 34.197 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 :: 7.879 HA :: 4.139 HB2 :: 2.246 HB3 :: 2.246 HG2 :: 2.475 HG3 :: 2.475 HE21 :: 7.378 HE22 :: 6.783 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 119.825 NE2 :: 111.846 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.V72 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 :: 177.375 CA :: 67.123 CB :: 31.276 CG1 :: 22.436 CG2 :: 22.396 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 :: 7.867 HA :: 3.7 HB :: 2.303 HG11 :: 1.005 HG12 :: 1.005 HG13 :: 1.005 HG21 :: 1.088 HG22 :: 1.088 HG23 :: 1.088 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 :: 121.324 Ave N Shift Values>> N :: 121.14(4.54) 1.Q73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 Q 0.22 K 0.19 E 0.08 M 0.05 I 0.02 C Shift Assignments>> C :: 178.184 CA :: 59.772 CB :: 29.854 CG :: 33.945 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 :: 8.28 HA :: 3.816 HB2 :: 1.961 HB3 :: 1.961 HG2 :: 2.392 HG3 :: 2.392 HE21 :: 7.847 HE22 :: 7.239 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 119 NE2 :: 112.117 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.M74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 M 0.45 C Shift Assignments>> C :: 178.614 CA :: 58.333 CB :: 31.89 CG :: 32.342 CE :: 17.08 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 :: 8.375 HA :: 4.189 HB2 :: 2.247 HB3 :: 2.247 HG2 :: 2.736 HG3 :: 2.649 HE1 :: 2.081 HE2 :: 2.081 HE3 :: 2.081 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 :: 118.176 Ave N Shift Values>> N :: 120.09(3.57) 1.Q75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 K 0.2 Q 0.19 E 0.15 I 0.06 R 0.01 M 0.01 C Shift Assignments>> C :: 178.851 CA :: 59.468 CB :: 28.881 CG :: 34.6 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 :: 8.259 HA :: 4.193 HB2 :: 2.12 HB3 :: 2.12 HG2 :: 2.52 HG3 :: 2.346 HE21 :: 7.451 HE22 :: 6.674 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 121.363 NE2 :: 110.551 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.48 C 0.4 R 0.09 G 0.01 C Shift Assignments>> C :: 179.079 CA :: 58.338 CB :: 42.241 CG :: 26.885 CD1 :: 26.128 CD2 :: 24.464 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 :: 8.433 HA :: 4.088 HB2 :: 1.53 HB3 :: 1.93 HG :: 1.77 HD11 :: 0.834 HD12 :: 0.834 HD13 :: 0.834 HD21 :: 0.731 HD22 :: 0.731 HD23 :: 0.731 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 :: 118.821 Ave N Shift Values>> N :: 121.86(3.9) 1.R77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 R 0.41 G 0.1 K 0.02 C Shift Assignments>> C :: 178.169 CA :: 58.749 CB :: 29.956 CG :: 27.769 CD :: 43.687 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 :: 7.802 HA :: 4.005 HB2 :: 1.988 HB3 :: 1.988 HG2 :: 1.708 HG3 :: 1.708 HD2 :: 3.163 HD3 :: 3.163 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 :: 117.581 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.Q78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 Q 0.25 K 0.24 E 0.11 R 0.02 I 0.02 M 0.01 C Shift Assignments>> C :: 178.499 CA :: 58.508 CB :: 29.006 CG :: 34.237 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 :: 8.113 HA :: 4.121 HB2 :: 2.229 HB3 :: 2.229 HG2 :: 2.547 HG3 :: 2.392 HE21 :: 7.344 HE22 :: 6.78 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 :: 117.637 NE2 :: 111.195 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.V79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.83 C 0.16 C Shift Assignments>> C :: 177.228 CA :: 65.093 CB :: 32.654 CG1 :: 22.198 CG2 :: 23.091 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 :: 8.207 HA :: 3.717 HB :: 1.924 HG11 :: 0.286 HG12 :: 0.286 HG13 :: 0.286 HG21 :: 1.064 HG22 :: 1.064 HG23 :: 1.064 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 118.145 Ave N Shift Values>> N :: 121.14(4.54) 1.F80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.59 C 0.4 C Shift Assignments>> C :: 176.977 CA :: 58.458 CB :: 38.611 CD1 :: 132.714 CD2 :: 132.714 CE1 :: 130.522 CE2 :: 130.522 CZ :: 129.456 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 :: 7.955 HA :: 4.782 HB2 :: 3.438 HB3 :: 3.049 HD1 :: 7.605 HD2 :: 7.605 HE1 :: 7.158 HE2 :: 7.158 HZ :: 7.322 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 115.67 Ave N Shift Values>> N :: 120.45(4.18) 1.S81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.624 CA :: 61.779 CB :: 63 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.556 HA :: 4.327 HB2 :: 4.08 HB3 :: 4.08 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 116.398 Ave N Shift Values>> N :: 116.28(3.52) 1.Q82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 Q 0.26 K 0.23 E 0.12 R 0.04 I 0.02 M 0.01 C Shift Assignments>> C :: 177.055 CA :: 57.801 CB :: 28.517 CG :: 34.4 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 :: 8.453 HA :: 4.294 HB2 :: 2.02 HB3 :: 2.136 HG2 :: 2.418 HG3 :: 2.418 HE21 :: 7.455 HE22 :: 6.807 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 120.348 NE2 :: 111.948 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.D83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.24 K 0.22 D 0.15 F 0.11 R 0.1 Y 0.08 C 0.05 N 0.01 C Shift Assignments>> C :: 176.995 CA :: 56.021 CB :: 42.022 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 :: 7.915 HA :: 4.645 HB2 :: 2.698 HB3 :: 2.698 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 :: 120.156 Ave N Shift Values>> N :: 120.65(3.86) 1.Q84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 Q 0.22 K 0.21 E 0.18 I 0.03 R 0.02 M 0.01 HN Overlap>> 1.K56 1.K56 C Shift Assignments>> C :: 177.601 CA :: 58.19 CB :: 28.861 CG :: 34.76 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 :: 8.225 HA :: 4.065 HB2 :: 2.13 HB3 :: 2.13 HG2 :: 2.405 HG3 :: 2.405 HE21 :: 7.526 HE22 :: 6.847 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 :: 118.477 NE2 :: 112.474 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Q85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 Q 0.26 K 0.24 E 0.08 R 0.05 I 0.02 M 0.01 HN Overlap>> 1.R90 1.R90 C Shift Assignments>> C :: 177.68 CA :: 58.268 CB :: 28.528 CG :: 34.1 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 :: 8.17 HA :: 4.151 HB2 :: 2.139 HB3 :: 2.139 HG2 :: 2.396 HG3 :: 2.396 HE21 :: 7.492 HE22 :: 6.82 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 119.493 NE2 :: 112.348 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.V86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.83 C 0.16 HN Overlap>> 1.R35 1.R35 C Shift Assignments>> C :: 177.532 CA :: 64.479 CB :: 31.972 CG1 :: 21.303 CG2 :: 21.878 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 :: 7.739 HA :: 3.927 HB :: 2.228 HG11 :: 0.937 HG12 :: 0.937 HG13 :: 0.937 HG21 :: 1.023 HG22 :: 1.023 HG23 :: 1.023 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 :: 119.555 Ave N Shift Values>> N :: 121.14(4.54) 1.L87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.6 C 0.33 R 0.03 HN Overlap>> 1.E58 1.E58 C Shift Assignments>> C :: 178.362 CA :: 56.497 CB :: 41.824 CG :: 26.78 CD1 :: 25.519 CD2 :: 23.301 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 :: 7.857 HA :: 4.128 HB2 :: 1.81 HB3 :: 1.545 HG :: 1.729 HD11 :: 0.792 HD12 :: 0.792 HD13 :: 0.792 HD21 :: 0.831 HD22 :: 0.831 HD23 :: 0.831 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 :: 120.926 Ave N Shift Values>> N :: 121.86(3.9) 1.Q88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.27 C 0.26 K 0.25 E 0.12 R 0.03 M 0.02 I 0.01 C Shift Assignments>> C :: 177.274 CA :: 57.218 CB :: 28.951 CG :: 34.3 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 :: 8.001 HA :: 4.157 HB2 :: 2.098 HB3 :: 2.098 HG2 :: 2.401 HG3 :: 2.401 HE21 :: 7.507 HE22 :: 6.833 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 :: 118.809 NE2 :: 112.451 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.E89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.4 C 0.38 I 0.07 K 0.05 M 0.05 Q 0.02 C Shift Assignments>> C :: 177.509 CA :: 57.944 CB :: 30.024 CG :: 36.593 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 :: 8.143 HA :: 4.159 HB2 :: 2.073 HB3 :: 2.073 HG2 :: 2.349 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 :: 120.836 Ave N Shift Values>> N :: 120.67(3.48) 1.R90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.43 C 0.41 G 0.1 K 0.04 HN Overlap>> 1.L69 1.Q85 1.L69 1.Q85 C Shift Assignments>> C :: 177.032 CA :: 57.239 CB :: 30.691 CG :: 27.716 CD :: 43.713 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 :: 8.139 HA :: 4.246 HB2 :: 1.881 HB3 :: 1.881 HG2 :: 1.713 HG3 :: 1.713 HD2 :: 3.169 HD3 :: 3.169 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 :: 119.581 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.M91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.5 C 0.4 A 0.09 HN Overlap>> 1.M12 1.M12 1.M47 1.M47 C Shift Assignments>> C :: 176.351 CA :: 56.131 CB :: 32.72 CG :: 32.566 CE :: 17.08 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 :: 8.047 HA :: 4.368 HB2 :: 2.015 HB3 :: 2.015 HG2 :: 2.582 HG3 :: 2.518 HE1 :: 2.081 HE2 :: 2.081 HE3 :: 2.081 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 :: 119.391 Ave N Shift Values>> N :: 120.09(3.57) 1.R92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.46 C 0.39 G 0.07 K 0.05 HN Overlap>> 1.K48 1.K48 C Shift Assignments>> C :: 176.066 CA :: 56.646 CB :: 30.721 CG :: 27.294 CD :: 43.505 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 :: 7.981 HA :: 4.21 HB2 :: 1.694 HB3 :: 1.694 HG2 :: 1.446 HG3 :: 1.517 HD2 :: 3.129 HD3 :: 3.129 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 :: 120.762 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.Y93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.63 C 0.36 HN Overlap>> 1.H94 1.H94 C Shift Assignments>> C :: 175.636 CA :: 58.103 CB :: 38.79 CD1 :: 132.985 CD2 :: 132.985 CE1 :: 118.093 CE2 :: 118.093 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 :: 8.039 HA :: 4.49 HB2 :: 3.007 HB3 :: 2.886 HD1 :: 7.063 HD2 :: 7.063 HE1 :: 6.779 HE2 :: 6.779 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 :: 120.111 Ave N Shift Values>> N :: 120.52(4.2) 1.H94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.58 C 0.41 HN Overlap>> 1.Y93 1.Y93 C Shift Assignments>> C :: 174.05 CA :: 55.748 CB :: 30.075 CD2 :: 120.071 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 :: 8.115 HA :: 4.57 HB2 :: 3.169 HB3 :: 3.066 HD2 :: 7.107 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 :: 120.055 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.E95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.4 C 0.35 M 0.12 Q 0.04 K 0.04 I 0.02 C Shift Assignments>> C :: 175.315 CA :: 56.632 CB :: 30.545 CG :: 36.363 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 :: 8.284 HA :: 4.242 HB2 :: 2.054 HB3 :: 1.893 HG2 :: 2.218 HG3 :: 2.218 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 :: 122.201 Ave N Shift Values>> N :: 120.67(3.48) 1.L96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.51 C 0.31 G 0.08 R 0.07 C Shift Assignments>> C :: 182.372 CA :: 56.745 CB :: 43.503 CG :: 27.099 CD1 :: 25.22 CD2 :: 23.708 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 :: 7.847 HA :: 4.155 HB2 :: 1.577 HB3 :: 1.577 HG :: 1.6 HD11 :: 0.906 HD12 :: 0.906 HD13 :: 0.906 HD21 :: 0.862 HD22 :: 0.862 HD23 :: 0.862 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 :: 128.664 Ave N Shift Values>> N :: 121.86(3.9) ########################################################################### Overall Results: #Consistent: 96 #Clerical: 0 #Suspicious: 0 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 95 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 1 Shift Relative Order (SRO) Results: #Consistent: 96 #Suspicious: 0 C Shift Results: #Consistent: 454 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 765 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 N Shift Results: #Consistent: 107 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0