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.P2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.94 P 0.05 C Shift Assignments>> CA :: 62.224 CB :: 34.520 CG :: 24.622 CD :: 50.251 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 :: 4.511 HB2 :: 2.303 HB3 :: 2.103 HG2 :: 1.879 HG3 :: 1.771 HD2 :: 3.484 HD3 :: 3.440 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.S3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 174.078 CA :: 58.273 CB :: 63.721 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> HA :: 4.416 HB2 :: 3.800 HB3 :: 3.800 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.S4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.N9 1.D122 1.N9 1.D122 C Shift Assignments>> CA :: 56.265 CB :: 63.262 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.221 HA :: 3.796 HB2 :: 3.798 HB3 :: 3.798 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 118.569 Ave N Shift Values>> N :: 116.28(3.52) 1.P5 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 :: 177.009 CA :: 63.448 CB :: 31.854 CG :: 27.245 CD :: 50.595 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 :: 4.335 HB2 :: 2.240 HB3 :: 1.858 HG2 :: 1.947 HG3 :: 1.947 HD2 :: 3.747 HD3 :: 3.656 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.M6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.45 C 0.34 Q 0.16 K 0.02 C Shift Assignments>> C :: 176.293 CA :: 55.805 CB :: 32.709 CG :: 31.878 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 :: 8.258 HA :: 4.321 HB2 :: 1.985 HB3 :: 1.912 HG2 :: 2.513 HG3 :: 2.466 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 :: 119.429 Ave N Shift Values>> N :: 120.09(3.57) 1.E7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.4 C 0.32 M 0.09 K 0.08 Q 0.07 I 0.02 C Shift Assignments>> C :: 176.319 CA :: 56.479 CB :: 30.100 CG :: 36.130 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 :: 8.210 HA :: 4.198 HB2 :: 1.944 HB3 :: 1.858 HG2 :: 2.152 HG3 :: 2.152 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.524 Ave N Shift Values>> N :: 120.67(3.48) 1.L8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.67 C 0.27 A 0.02 R 0.01 G 0.01 C Shift Assignments>> C :: 176.887 CA :: 55.161 CB :: 42.160 CG :: 26.779 CD1 :: 24.692 CD2 :: 23.423 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 :: 8.112 HA :: 4.253 HB2 :: 1.502 HB3 :: 1.502 HG :: 1.528 HD11 :: 0.832 HD12 :: 0.832 HD13 :: 0.832 HD21 :: 0.772 HD22 :: 0.772 HD23 :: 0.772 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 :: 122.766 Ave N Shift Values>> N :: 121.86(3.9) 1.N9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.69 D 0.19 C 0.1 HN Overlap>> 1.S4 1.S4 1.D122 1.D122 C Shift Assignments>> C :: 175.081 CA :: 53.023 CB :: 39.104 CG :: 176.659 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 :: 8.286 HA :: 4.691 HB2 :: 2.768 HB3 :: 2.664 HD21 :: 7.514 HD22 :: 6.845 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 :: 118.606 ND2 :: 112.953 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.G10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.72 L 0.15 R 0.04 C 0.03 F 0.01 D 0.01 C Shift Assignments>> CA :: 44.931 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.061 HA2 :: 3.987 HA3 :: 3.987 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.964 Ave N Shift Values>> N :: 109.67(3.87) 1.P11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.72 C 0.26 C Shift Assignments>> C :: 177.141 CA :: 63.096 CB :: 32.160 CG :: 26.909 CD :: 49.638 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 :: 4.443 HB2 :: 2.243 HB3 :: 2.183 HG2 :: 1.948 HG3 :: 1.899 HD2 :: 3.514 HD3 :: 3.514 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.L12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.66 C 0.28 R 0.02 A 0.01 G 0.01 HN Overlap>> 1.F51 1.F51 C Shift Assignments>> C :: 177.423 CA :: 55.254 CB :: 42.118 CG :: 26.818 CD1 :: 24.733 CD2 :: 23.518 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 :: 8.203 HA :: 4.247 HB2 :: 1.557 HB3 :: 1.498 HG :: 1.531 HD11 :: 0.832 HD12 :: 0.832 HD13 :: 0.832 HD21 :: 0.775 HD22 :: 0.775 HD23 :: 0.775 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 :: 121.258 Ave N Shift Values>> N :: 121.86(3.9) 1.R13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.48 C 0.4 K 0.06 G 0.04 C Shift Assignments>> C :: 176.456 CA :: 56.555 CB :: 30.478 CG :: 26.943 CD :: 43.109 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 :: 8.116 HA :: 4.165 HB2 :: 1.753 HB3 :: 1.713 HG2 :: 1.556 HG3 :: 1.556 HD2 :: 3.116 HD3 :: 3.116 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 :: 121.455 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.E14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.39 C 0.34 K 0.08 M 0.06 Q 0.06 I 0.04 C Shift Assignments>> C :: 176.574 CA :: 57.209 CB :: 29.972 CG :: 36.194 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 :: 8.338 HA :: 4.092 HB2 :: 1.943 HB3 :: 1.859 HG2 :: 2.154 HG3 :: 2.154 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.280 Ave N Shift Values>> N :: 120.67(3.48) 1.E15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.39 C 0.33 K 0.09 Q 0.07 M 0.06 I 0.04 C Shift Assignments>> C :: 176.850 CA :: 57.056 CB :: 29.838 CG :: 36.171 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 :: 8.366 HA :: 4.097 HB2 :: 1.941 HB3 :: 1.866 HG2 :: 2.154 HG3 :: 2.154 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 :: 120.988 Ave N Shift Values>> N :: 120.67(3.48) 1.I16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.7 C 0.29 C Shift Assignments>> C :: 176.611 CA :: 61.653 CB :: 38.119 CG1 :: 27.436 CG2 :: 17.405 CD1 :: 12.603 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 :: 7.941 HA :: 4.004 HB :: 1.803 HG12 :: 1.375 HG13 :: 1.093 HG21 :: 0.789 HG22 :: 0.789 HG23 :: 0.789 HD11 :: 0.719 HD12 :: 0.719 HD13 :: 0.719 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 121.269 Ave N Shift Values>> N :: 121.46(4.28) 1.V17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.73 C 0.25 C Shift Assignments>> C :: 176.308 CA :: 63.257 CB :: 32.110 CG1 :: 20.932 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 :: 7.952 HA :: 3.862 HB :: 1.920 HG11 :: 0.767 HG12 :: 0.767 HG13 :: 0.767 HG21 :: 0.767 HG22 :: 0.767 HG23 :: 0.767 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 :: 122.870 Ave N Shift Values>> N :: 121.14(4.54) 1.N18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.48 D 0.14 C 0.11 Y 0.09 F 0.08 L 0.04 E 0.01 M 0.01 C Shift Assignments>> C :: 175.260 CA :: 53.718 CB :: 38.469 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 :: 8.267 HA :: 4.502 HB2 :: 2.682 HB3 :: 2.682 HD21 :: 7.516 HD22 :: 6.786 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 :: 120.311 ND2 :: 112.632 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.F19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.29 F 0.27 I 0.2 C 0.17 L 0.01 D 0.01 E 0.01 C Shift Assignments>> CA :: 59.097 CB :: 39.050 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 :: 8.055 HA :: 4.289 HB2 :: 3.105 HB3 :: 2.973 HD1 :: 7.247 HD2 :: 7.247 HE1 :: 7.181 HE2 :: 7.181 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 120.952 Ave N Shift Values>> N :: 120.45(4.18) 1.N20 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.C21 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.R22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 R 0.32 K 0.07 G 0.03 HN Overlap>> 1.K151 1.K151 C Shift Assignments>> C :: 177.139 CA :: 60.287 CB :: 29.225 CG :: 28.166 CD :: 42.667 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 :: 8.007 HA :: 3.408 HB2 :: 1.633 HB3 :: 1.633 HG2 :: 1.241 HG3 :: 1.241 HD2 :: 2.938 HD3 :: 2.938 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 :: 120.697 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.K23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 K 0.43 R 0.11 HN Overlap>> 1.Y131 1.E129 1.Y131 1.E129 C Shift Assignments>> C :: 178.618 CA :: 58.770 CB :: 32.053 CG :: 24.727 CD :: 29.091 CE :: 42.083 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 :: 7.576 HA :: 3.839 HB2 :: 1.668 HB3 :: 1.668 HG2 :: 1.285 HG3 :: 1.285 HD2 :: 1.571 HD3 :: 1.571 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 :: 116.910 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.59 C 0.38 C Shift Assignments>> C :: 178.449 CA :: 57.570 CB :: 41.739 CG :: 26.737 CD1 :: 24.418 CD2 :: 24.528 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 :: 7.213 HA :: 4.086 HB2 :: 1.598 HB3 :: 1.499 HG :: 1.227 HD11 :: 0.935 HD12 :: 0.935 HD13 :: 0.935 HD21 :: 0.920 HD22 :: 0.920 HD23 :: 0.920 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 :: 118.834 Ave N Shift Values>> N :: 121.86(3.9) 1.V25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.85 C 0.14 HN Overlap>> 1.C97 1.C97 C Shift Assignments>> C :: 177.033 CA :: 64.867 CB :: 31.308 CG1 :: 21.462 CG2 :: 20.765 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 :: 7.328 HA :: 3.388 HB :: 1.475 HG11 :: 0.152 HG12 :: 0.152 HG13 :: 0.152 HG21 :: 0.127 HG22 :: 0.127 HG23 :: 0.127 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 :: 116.066 Ave N Shift Values>> N :: 121.14(4.54) 1.A26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.65 M 0.32 C 0.01 C Shift Assignments>> C :: 177.555 CA :: 53.656 CB :: 18.164 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.920 HA :: 3.916 HB1 :: 1.349 HB2 :: 1.349 HB3 :: 1.349 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 117.862 Ave N Shift Values>> N :: 123.23(3.54) 1.S27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.152 CA :: 59.232 CB :: 63.865 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.326 HA :: 4.363 HB2 :: 4.142 HB3 :: 4.100 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 :: 110.460 Ave N Shift Values>> N :: 116.28(3.52) 1.M28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.41 A 0.37 C 0.21 C Shift Assignments>> CA :: 53.997 CB :: 33.361 CG :: 32.345 CE :: 17.919 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 :: 7.693 HA :: 4.509 HB2 :: 2.182 HB3 :: 1.827 HG2 :: 2.065 HG3 :: 1.537 HE1 :: 1.393 HE2 :: 1.393 HE3 :: 1.393 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 :: 126.210 Ave N Shift Values>> N :: 120.09(3.57) 1.P29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.72 C 0.27 C Shift Assignments>> C :: 177.828 CA :: 65.846 CB :: 31.981 CG :: 27.531 CD :: 51.577 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 :: 4.142 HB2 :: 2.329 HB3 :: 2.329 HG2 :: 2.050 HG3 :: 2.050 HD2 :: 4.203 HD3 :: 3.619 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.L30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.62 C 0.35 C Shift Assignments>> C :: 176.824 CA :: 56.955 CB :: 41.999 CG :: 26.610 CD1 :: 24.227 CD2 :: 23.782 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 :: 7.358 HA :: 3.845 HB2 :: 1.016 HB3 :: 0.841 HG :: 1.075 HD11 :: 0.484 HD12 :: 0.484 HD13 :: 0.484 HD21 :: 0.345 HD22 :: 0.345 HD23 :: 0.345 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 :: 115.020 Ave N Shift Values>> N :: 121.86(3.9) 1.F31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.4 F 0.37 C 0.22 C Shift Assignments>> C :: 176.702 CA :: 56.116 CB :: 38.715 CZ :: 128.990 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 :: 7.423 HA :: 4.734 HB2 :: 3.110 HB3 :: 3.110 HD1 :: 7.249 HD2 :: 7.249 HE1 :: 6.995 HE2 :: 6.995 HZ :: 6.930 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 :: 112.051 Ave N Shift Values>> N :: 120.45(4.18) 1.A32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.52 M 0.39 C 0.03 I 0.02 C Shift Assignments>> C :: 178.328 CA :: 54.984 CB :: 18.815 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.646 HA :: 4.150 HB1 :: 1.378 HB2 :: 1.378 HB3 :: 1.378 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.307 Ave N Shift Values>> N :: 123.23(3.54) 1.N33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.74 D 0.15 C 0.1 HN Overlap>> 1.S107 1.S107 C Shift Assignments>> C :: 174.451 CA :: 52.506 CB :: 38.627 CG :: 176.970 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 :: 8.323 HA :: 4.744 HB2 :: 2.862 HB3 :: 2.588 HD21 :: 7.499 HD22 :: 6.852 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 :: 113.594 ND2 :: 113.419 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.A34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.92 C 0.02 L 0.02 M 0.01 C Shift Assignments>> C :: 176.320 CA :: 51.343 CB :: 20.447 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.190 HA :: 4.136 HB1 :: 1.513 HB2 :: 1.513 HB3 :: 1.513 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.857 Ave N Shift Values>> N :: 123.23(3.54) 1.D35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.34 L 0.26 N 0.1 K 0.09 R 0.05 C 0.04 F 0.04 Y 0.02 G 0.01 HN Overlap>> 1.A106 1.A106 C Shift Assignments>> CA :: 52.432 CB :: 42.002 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 :: 7.475 HA :: 4.641 HB2 :: 2.714 HB3 :: 2.532 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 :: 122.061 Ave N Shift Values>> N :: 120.65(3.86) 1.P36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.85 C 0.14 C Shift Assignments>> C :: 179.076 CA :: 65.253 CB :: 32.113 CG :: 27.523 CD :: 51.083 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 :: 4.130 HB2 :: 1.883 HB3 :: 2.296 HG2 :: 2.005 HG3 :: 2.005 HD2 :: 3.875 HD3 :: 3.846 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.N37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 N 0.45 D 0.08 C Shift Assignments>> C :: 177.571 CA :: 55.997 CB :: 37.579 CG :: 176.844 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 :: 8.747 HA :: 4.369 HB2 :: 3.000 HB3 :: 2.906 HD21 :: 8.157 HD22 :: 7.070 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 :: 116.671 ND2 :: 115.486 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.F38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.28 Y 0.25 F 0.2 C 0.19 E 0.02 C Shift Assignments>> C :: 175.692 CA :: 59.874 CB :: 38.367 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 :: 7.346 HA :: 3.208 HB2 :: 2.169 HB3 :: 2.169 HD1 :: 6.794 HD2 :: 6.794 HE1 :: 6.851 HE2 :: 6.851 HZ :: 6.990 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 :: 123.291 Ave N Shift Values>> N :: 120.45(4.18) 1.V39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.88 C 0.11 C Shift Assignments>> C :: 177.041 CA :: 67.207 CB :: 31.019 CG1 :: 23.468 CG2 :: 20.721 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 :: 7.433 HA :: 2.843 HB :: 1.995 HG11 :: 0.977 HG12 :: 0.977 HG13 :: 0.977 HG21 :: 0.606 HG22 :: 0.606 HG23 :: 0.606 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 :: 118.950 Ave N Shift Values>> N :: 121.14(4.54) 1.T40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.96 C 0.03 HN Overlap>> 1.S91 1.S91 C Shift Assignments>> C :: 175.829 CA :: 66.659 CB :: 68.553 CG2 :: 22.282 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 :: 8.137 HA :: 3.487 HB :: 4.140 HG21 :: 1.092 HG22 :: 1.092 HG23 :: 1.092 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 :: 115.607 Ave N Shift Values>> N :: 115.42(4.75) 1.A41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.5 M 0.43 C 0.02 I 0.02 C Shift Assignments>> C :: 180.438 CA :: 54.825 CB :: 18.488 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.461 HA :: 4.056 HB1 :: 1.401 HB2 :: 1.401 HB3 :: 1.401 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.747 Ave N Shift Values>> N :: 123.23(3.54) 1.M42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 M 0.44 A 0.02 HN Overlap>> 1.I143 1.I143 1.R148 1.R148 C Shift Assignments>> C :: 178.618 CA :: 57.628 CB :: 30.910 CG :: 31.637 CE :: 17.460 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 :: 7.994 HA :: 3.754 HB2 :: 1.559 HB3 :: 1.484 HG2 :: 1.946 HG3 :: 1.946 HE1 :: 1.156 HE2 :: 1.156 HE3 :: 1.156 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 :: 119.583 Ave N Shift Values>> N :: 120.09(3.57) 1.L43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.53 C 0.45 C Shift Assignments>> C :: 179.742 CA :: 57.563 CB :: 40.590 CG :: 25.331 CD1 :: 25.018 CD2 :: 22.912 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 :: 7.939 HA :: 3.600 HB2 :: 1.799 HB3 :: 1.278 HG :: 1.809 HD11 :: 0.578 HD12 :: 0.578 HD13 :: 0.578 HD21 :: 0.353 HD22 :: 0.353 HD23 :: 0.353 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 :: 116.280 Ave N Shift Values>> N :: 121.86(3.9) 1.T44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.95 C 0.04 C Shift Assignments>> C :: 175.387 CA :: 63.972 CB :: 69.240 CG2 :: 21.408 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 :: 7.240 HA :: 4.110 HB :: 4.262 HG21 :: 1.313 HG22 :: 1.313 HG23 :: 1.313 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 :: 107.255 Ave N Shift Values>> N :: 115.42(4.75) 1.K45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.44 C 0.33 K 0.13 A 0.04 G 0.02 C Shift Assignments>> C :: 176.898 CA :: 53.429 CB :: 32.207 CG :: 23.483 CD :: 26.861 CE :: 42.359 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 :: 7.568 HA :: 4.297 HB2 :: 1.790 HB3 :: 1.790 HG2 :: 1.482 HG3 :: 1.482 HD2 :: 1.352 HD3 :: 1.352 HE2 :: 2.714 HE3 :: 2.636 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 :: 117.202 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.64 C 0.26 R 0.05 G 0.02 A 0.01 C Shift Assignments>> C :: 177.447 CA :: 55.381 CB :: 42.509 CG :: 26.253 CD1 :: 25.791 CD2 :: 23.582 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 6.952 HA :: 4.696 HB2 :: 1.371 HB3 :: 1.371 HG :: 1.771 HD11 :: 0.420 HD12 :: 0.420 HD13 :: 0.420 HD21 :: 0.531 HD22 :: 0.531 HD23 :: 0.531 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 :: 119.508 Ave N Shift Values>> N :: 121.86(3.9) 1.K47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.57 C 0.33 R 0.07 G 0.01 C Shift Assignments>> C :: 175.073 CA :: 54.214 CB :: 34.239 CG :: 24.727 CD :: 28.732 CE :: 42.255 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 :: 9.078 HA :: 4.810 HB2 :: 1.968 HB3 :: 1.846 HG2 :: 1.487 HG3 :: 1.347 HD2 :: 1.657 HD3 :: 1.657 HE2 :: 2.974 HE3 :: 2.974 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 :: 123.514 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.F48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.28 Y 0.27 C 0.13 D 0.09 L 0.08 I 0.07 N 0.02 K 0.01 C Shift Assignments>> C :: 175.010 CA :: 57.512 CB :: 39.876 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 :: 8.765 HA :: 4.602 HB2 :: 2.911 HB3 :: 2.814 HD1 :: 6.625 HD2 :: 6.625 HE1 :: 6.951 HE2 :: 6.951 HZ :: 6.912 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 :: 126.517 Ave N Shift Values>> N :: 120.45(4.18) 1.E49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.9 M 0.05 E 0.03 C Shift Assignments>> C :: 172.696 CA :: 55.753 CB :: 35.056 CG :: 36.302 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 :: 8.753 HA :: 4.275 HB2 :: 2.108 HB3 :: 2.108 HG2 :: 2.015 HG3 :: 2.015 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 :: 128.845 Ave N Shift Values>> N :: 120.67(3.48) 1.V50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.63 V 0.35 C Shift Assignments>> C :: 175.313 CA :: 58.767 CB :: 34.456 CG1 :: 22.114 CG2 :: 20.376 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 :: 7.595 HA :: 4.903 HB :: 1.628 HG11 :: 0.634 HG12 :: 0.634 HG13 :: 0.634 HG21 :: 0.610 HG22 :: 0.610 HG23 :: 0.610 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 :: 116.264 Ave N Shift Values>> N :: 121.14(4.54) 1.F51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.35 L 0.25 F 0.08 C 0.06 K 0.06 D 0.05 G 0.05 Y 0.05 HN Overlap>> 1.L12 1.L12 C Shift Assignments>> C :: 173.194 CA :: 56.982 CB :: 43.427 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 :: 8.165 HA :: 4.517 HB2 :: 3.028 HB3 :: 2.932 HD1 :: 6.940 HD2 :: 6.940 HE1 :: 7.390 HE2 :: 7.390 HZ :: 7.154 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 :: 121.156 Ave N Shift Values>> N :: 120.45(4.18) 1.Q52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.56 C 0.42 C Shift Assignments>> CA :: 52.926 CB :: 27.659 CG :: 32.881 CD :: 180.161 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 :: 8.831 HA :: 4.466 HB2 :: 2.078 HB3 :: 1.737 HG2 :: 2.405 HG3 :: 2.405 HE21 :: 7.633 HE22 :: 6.719 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 :: 120.001 NE2 :: 111.585 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.P53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.75 C 0.24 C Shift Assignments>> C :: 177.663 CA :: 63.635 CB :: 30.793 CG :: 27.816 CD :: 49.768 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 :: 3.438 HB2 :: 1.736 HB3 :: 1.736 HG2 :: 2.079 HG3 :: 1.735 HD2 :: 3.196 HD3 :: 3.196 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.G54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.56 L 0.22 R 0.1 C 0.04 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> C :: 174.579 CA :: 44.599 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.954 HA2 :: 4.288 HA3 :: 4.288 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 113.711 Ave N Shift Values>> N :: 109.67(3.87) 1.D55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.25 D 0.23 K 0.18 F 0.09 Y 0.07 R 0.05 C 0.05 N 0.04 C Shift Assignments>> C :: 176.420 CA :: 55.039 CB :: 41.718 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 :: 8.133 HA :: 4.522 HB2 :: 2.927 HB3 :: 2.927 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 :: 121.723 Ave N Shift Values>> N :: 120.65(3.86) 1.Y56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.24 Y 0.23 C 0.23 F 0.17 E 0.07 M 0.01 C Shift Assignments>> C :: 175.334 CA :: 59.559 CB :: 37.773 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 :: 8.999 HA :: 4.313 HB2 :: 2.837 HB3 :: 2.331 HD1 :: 7.081 HD2 :: 7.081 HE1 :: 6.685 HE2 :: 6.685 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 :: 120.369 Ave N Shift Values>> N :: 120.52(4.2) 1.I57 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.57 C 0.42 C Shift Assignments>> C :: 176.085 CA :: 63.056 CB :: 39.303 CG1 :: 26.354 CG2 :: 15.739 CD1 :: 16.519 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 :: 8.405 HA :: 3.166 HB :: 0.597(S) HG12 :: 0.508 HG13 :: -1.105(S) HG21 :: 0.066 HG22 :: 0.066 HG23 :: 0.066 HD11 :: -0.260 HD12 :: -0.260 HD13 :: -0.260 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 :: 127.049 Ave N Shift Values>> N :: 121.46(4.28) 1.I58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.58 I 0.34 G 0.06 C Shift Assignments>> C :: 175.239 CA :: 59.946 CB :: 42.937 CG1 :: 27.909 CG2 :: 17.859 CD1 :: 14.122 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 :: 7.408 HA :: 4.385 HB :: 1.453 HG12 :: 1.213 HG13 :: 1.147 HG21 :: 0.998 HG22 :: 0.998 HG23 :: 0.998 HD11 :: 1.019 HD12 :: 1.019 HD13 :: 1.019 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 113.758 Ave N Shift Values>> N :: 121.46(4.28) 1.R59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.48 C 0.29 K 0.17 G 0.03 C Shift Assignments>> C :: 175.384 CA :: 54.088 CB :: 31.905 CG :: 27.447 CD :: 42.814 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 :: 8.613 HA :: 4.722 HB2 :: 1.652 HB3 :: 1.551 HG2 :: 1.356 HG3 :: 1.356 HD2 :: 2.903 HD3 :: 2.903 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 :: 124.863 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.E60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.27 E 0.24 Q 0.21 K 0.19 I 0.03 M 0.02 R 0.01 C Shift Assignments>> C :: 175.950 CA :: 57.645 CB :: 29.219 CG :: 35.010 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 :: 8.516 HA :: 3.437 HB2 :: 1.823 HB3 :: 1.823 HG2 :: 1.992 HG3 :: 1.992 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 :: 126.645 Ave N Shift Values>> N :: 120.67(3.48) 1.G61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.85 L 0.08 C 0.02 R 0.01 C Shift Assignments>> C :: 174.128 CA :: 45.382 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.675 HA2 :: 4.293 HA3 :: 4.293 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.236 Ave N Shift Values>> N :: 109.67(3.87) 1.T62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.79 C 0.2 C Shift Assignments>> C :: 173.822 CA :: 60.513 CB :: 71.488 CG2 :: 21.892 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 :: 7.283 HA :: 4.490 HB :: 4.338 HG21 :: 1.189 HG22 :: 1.189 HG23 :: 1.189 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 :: 109.861 Ave N Shift Values>> N :: 115.42(4.75) 1.I63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.61 C 0.38 C Shift Assignments>> C :: 177.014 CA :: 60.910 CB :: 37.173 CG1 :: 27.131 CG2 :: 17.287 CD1 :: 11.640 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 :: 8.703 HA :: 4.111 HB :: 1.809 HG12 :: 1.492 HG13 :: 1.142 HG21 :: 0.800 HG22 :: 0.800 HG23 :: 0.800 HD11 :: 0.743 HD12 :: 0.743 HD13 :: 0.743 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 121.999 Ave N Shift Values>> N :: 121.46(4.28) 1.G64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.06 C 0.04 C Shift Assignments>> CA :: 46.388 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.584 HA2 :: 4.275 HA3 :: 3.493 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 115.318 Ave N Shift Values>> N :: 109.67(3.87) 1.K65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> K 0.5 C 0.38 R 0.09 C Shift Assignments>> C :: 175.463 CA :: 55.714 CB :: 34.815 CG :: 24.917 CD :: 28.854 CE :: 42.040 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 :: 4.494 HB2 :: 2.073 HB3 :: 1.745 HG2 :: 1.429 HG3 :: 1.429 HD2 :: 1.666 HD3 :: 1.666 HE2 :: 2.935 HE3 :: 2.935 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.K66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.73 K 0.19 R 0.05 A 0.01 C Shift Assignments>> C :: 173.982 CA :: 55.111 CB :: 37.040 CG :: 24.169 CD :: 30.146 CE :: 41.698 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 :: 7.314 HA :: 4.884 HB2 :: 1.204 HB3 :: 1.204 HG2 :: 1.038 HG3 :: 1.038 HD2 :: 1.601 HD3 :: 1.433 HE2 :: 2.796 HE3 :: 2.796 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 :: 117.874 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.M67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.57 C 0.29 M 0.13 C Shift Assignments>> C :: 172.568 CA :: 53.626 CB :: 34.350 CG :: 34.747 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 :: 8.361 HA :: 4.708 HB2 :: 1.865 HB3 :: 1.865 HG2 :: 1.966 HG3 :: 1.966 HE1 :: 0.983 HE2 :: 0.983 HE3 :: 0.983 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 :: 118.003 Ave N Shift Values>> N :: 120.09(3.57) 1.Y68 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.3 L 0.23 K 0.12 F 0.09 D 0.07 Y 0.06 C 0.06 G 0.02 C Shift Assignments>> C :: 173.109 CA :: 56.927 CB :: 42.988 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 :: 8.022 HA :: 4.907 HB2 :: 1.878 HB3 :: 0.615(S) HD1 :: 6.954 HD2 :: 6.954 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 :: 114.990 Ave N Shift Values>> N :: 120.52(4.2) 1.F69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.23 L 0.23 D 0.14 F 0.12 R 0.09 Y 0.08 C 0.05 N 0.01 C Shift Assignments>> C :: 175.966 CA :: 56.228 CB :: 41.946 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 :: 9.367 HA :: 4.823 HB2 :: 2.954 HB3 :: 2.839 HD1 :: 7.121 HD2 :: 7.121 HE1 :: 6.873 HE2 :: 6.873 HZ :: 6.990 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 :: 117.309 Ave N Shift Values>> N :: 120.45(4.18) 1.I70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.72 C 0.27 C Shift Assignments>> C :: 175.129 CA :: 61.921 CB :: 37.931 CG1 :: 27.025 CG2 :: 17.002 CD1 :: 14.326 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 :: 9.158 HA :: 4.078 HB :: 1.841 HG12 :: 1.453 HG13 :: 1.453 HG21 :: 0.490 HG22 :: 0.490 HG23 :: 0.490 HD11 :: 0.601 HD12 :: 0.601 HD13 :: 0.601 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 121.475 Ave N Shift Values>> N :: 121.46(4.28) 1.Q71 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 R 0.06 E 0.06 I 0.02 M 0.01 C Shift Assignments>> C :: 175.571 CA :: 58.530 CB :: 28.296 CG :: 33.947 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 :: 8.497 HA :: 4.333 HB2 :: 2.229 HB3 :: 2.229 HG2 :: 2.102 HG3 :: 1.874 HE21 :: 6.922 HE22 :: 6.727 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 :: 130.475 NE2 :: 110.912 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.H72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.24 Q 0.18 K 0.18 C 0.17 R 0.08 H 0.08 E 0.02 C Shift Assignments>> C :: 172.702 CA :: 55.018 CB :: 33.188 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 :: 7.981 HA :: 4.893 HB2 :: 3.103 HB3 :: 2.864 HD2 :: 6.911 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 113.351 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.G73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.32 L 0.28 R 0.22 C 0.04 F 0.04 D 0.03 Y 0.02 C Shift Assignments>> C :: 169.824 CA :: 44.158 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.267 HA2 :: 4.684 HA3 :: 4.684 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 115.182 Ave N Shift Values>> N :: 109.67(3.87) 1.V74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 V 0.48 C Shift Assignments>> C :: 175.513 CA :: 60.879 CB :: 34.668 CG1 :: 21.138 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 :: 7.305 HA :: 4.765 HB :: 1.693 HG11 :: 0.809 HG12 :: 0.809 HG13 :: 0.809 HG21 :: 0.809 HG22 :: 0.809 HG23 :: 0.809 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 :: 117.417 Ave N Shift Values>> N :: 121.14(4.54) 1.V75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.67 V 0.27 A 0.05 C Shift Assignments>> C :: 173.698 CA :: 57.533 CB :: 33.283 CG1 :: 21.315 CG2 :: 19.680 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 :: 8.760 HA :: 4.841 HB :: 1.364 HG11 :: 0.403 HG12 :: 0.403 HG13 :: 0.403 HG21 :: 0.094 HG22 :: 0.094 HG23 :: 0.094 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 :: 117.953 Ave N Shift Values>> N :: 121.14(4.54) 1.S76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.955 CA :: 57.746 CB :: 65.224 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.805 HA :: 4.899 HB2 :: 3.400 HB3 :: 3.298 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.641 Ave N Shift Values>> N :: 116.28(3.52) 1.V77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.58 C 0.41 C Shift Assignments>> C :: 175.952 CA :: 61.574 CB :: 31.602 CG1 :: 20.952 CG2 :: 19.957 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 :: 9.085 HA :: 4.239 HB :: 1.887 HG11 :: 0.642 HG12 :: 0.642 HG13 :: 0.642 HG21 :: 0.515 HG22 :: 0.515 HG23 :: 0.515 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 :: 125.341 Ave N Shift Values>> N :: 121.14(4.54) 1.L78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.65 C 0.2 K 0.06 G 0.05 R 0.01 C Shift Assignments>> C :: 176.276 CA :: 54.281 CB :: 43.031 CG :: 26.681 CD1 :: 24.479 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 :: 8.998 HA :: 4.867 HB2 :: 1.505 HB3 :: 1.505 HG :: 1.358 HD11 :: 0.711 HD12 :: 0.711 HD13 :: 0.711 HD21 :: 0.711 HD22 :: 0.711 HD23 :: 0.711 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 :: 130.086 Ave N Shift Values>> N :: 121.86(3.9) 1.T79 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 :: 174.412 CA :: 60.400 CB :: 71.081 CG2 :: 21.831 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 :: 8.383 HA :: 4.613 HB :: 4.137 HG21 :: 1.142 HG22 :: 1.142 HG23 :: 1.142 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 117.229 Ave N Shift Values>> N :: 115.42(4.75) 1.K80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.43 C 0.43 R 0.11 C Shift Assignments>> CA :: 57.781 CB :: 31.873 CG :: 24.532 CD :: 29.247 CE :: 41.993 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 :: 8.793 HA :: 4.031 HB2 :: 1.768 HB3 :: 1.768 HG2 :: 1.431 HG3 :: 1.363 HD2 :: 1.624 HD3 :: 1.624 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 :: 123.932 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.85 L 0.08 C 0.02 R 0.01 C Shift Assignments>> C :: 173.879 CA :: 45.364 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> HA2 :: 3.731 HA3 :: 3.731 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) 1.N82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.59 D 0.32 C 0.07 C Shift Assignments>> C :: 174.656 CA :: 52.420 CB :: 39.721 CG :: 177.459 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 :: 8.025 HA :: 4.762 HB2 :: 2.804 HB3 :: 2.676 HD21 :: 7.400 HD22 :: 6.825 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 117.186 ND2 :: 112.843 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.K83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.46 C 0.37 R 0.14 C Shift Assignments>> C :: 176.253 CA :: 56.079 CB :: 32.726 CG :: 24.623 CD :: 28.838 CE :: 42.059 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 :: 7.969 HA :: 4.254 HB2 :: 1.773 HB3 :: 1.690 HG2 :: 1.356 HG3 :: 1.356 HD2 :: 1.608 HD3 :: 1.608 HE2 :: 2.921 HE3 :: 2.921 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 :: 120.353 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.35 C 0.34 M 0.21 Q 0.05 K 0.01 C Shift Assignments>> C :: 175.535 CA :: 56.472 CB :: 31.266 CG :: 36.061 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 :: 8.629 HA :: 4.555 HB2 :: 1.788 HB3 :: 1.788 HG2 :: 2.110 HG3 :: 2.007 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 :: 123.742 Ave N Shift Values>> N :: 120.67(3.48) 1.M85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 A 0.4 M 0.09 C Shift Assignments>> C :: 174.078 CA :: 54.530 CB :: 35.196 CG :: 35.194 CE :: 16.854 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 :: 8.173 HA :: 4.640 HB2 :: 1.868 HB3 :: 1.868 HG2 :: 1.950 HG3 :: 1.950 HE1 :: 1.961 HE2 :: 1.961 HE3 :: 1.961 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 :: 122.225 Ave N Shift Values>> N :: 120.09(3.57) 1.K86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.56 C 0.34 R 0.07 G 0.01 C Shift Assignments>> C :: 176.387 CA :: 54.510 CB :: 34.318 CG :: 24.793 CD :: 28.635 CE :: 42.194 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 :: 8.435 HA :: 5.333 HB2 :: 1.610 HB3 :: 1.437 HG2 :: 1.243 HG3 :: 1.243 HD2 :: 1.417 HD3 :: 1.336 HE2 :: 2.729 HE3 :: 2.687 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 :: 123.204 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.55 L 0.21 C 0.13 A 0.09 C Shift Assignments>> C :: 175.012 CA :: 53.338 CB :: 45.714 CG :: 26.191 CD1 :: 25.979 CD2 :: 22.701 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 :: 8.549 HA :: 4.598 HB2 :: 1.273 HB3 :: 1.237 HG :: 1.200 HD11 :: 0.561 HD12 :: 0.561 HD13 :: 0.561 HD21 :: 0.812 HD22 :: 0.812 HD23 :: 0.812 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 :: 121.952 Ave N Shift Values>> N :: 121.86(3.9) 1.S88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 T 0.01 C Shift Assignments>> C :: 173.881 CA :: 55.503 CB :: 65.641 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.214 HA :: 5.661 HB2 :: 3.863 HB3 :: 3.717 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 :: 114.028 Ave N Shift Values>> N :: 116.28(3.52) 1.D89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.21 D 0.2 Y 0.19 L 0.13 C 0.1 N 0.09 I 0.02 K 0.01 C Shift Assignments>> C :: 176.396 CA :: 56.007 CB :: 39.995 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 :: 9.219 HA :: 3.756 HB2 :: 2.658 HB3 :: 2.658 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 :: 116.599 Ave N Shift Values>> N :: 120.65(3.86) 1.G90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 L 0.11 C 0.03 R 0.01 F 0.01 C Shift Assignments>> C :: 174.532 CA :: 45.203 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.045 HA2 :: 4.439 HA3 :: 3.639 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.794 Ave N Shift Values>> N :: 109.67(3.87) 1.S91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.T40 1.T40 C Shift Assignments>> C :: 170.751 CA :: 58.541 CB :: 64.571 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.075 HA :: 4.738 HB2 :: 4.002 HB3 :: 3.952 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.612 Ave N Shift Values>> N :: 116.28(3.52) 1.Y92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.27 L 0.23 K 0.14 F 0.1 Y 0.07 N 0.06 C 0.05 R 0.02 C Shift Assignments>> C :: 173.337 CA :: 54.808 CB :: 41.371 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 :: 7.520 HA :: 5.377 HB2 :: 2.800 HB3 :: 2.394 HD1 :: 6.931 HD2 :: 6.931 HE1 :: 6.764 HE2 :: 6.764 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 :: 115.230 Ave N Shift Values>> N :: 120.52(4.2) 1.F93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.27 F 0.25 C 0.16 D 0.08 I 0.06 N 0.06 L 0.05 E 0.01 C Shift Assignments>> C :: 174.390 CA :: 56.891 CB :: 38.980 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 :: 8.583 HA :: 5.130 HB2 :: 3.054 HB3 :: 2.873 HD1 :: 6.613 HD2 :: 6.613 HE1 :: 6.513 HE2 :: 6.513 HZ :: 6.261 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 111.548 Ave N Shift Values>> N :: 120.45(4.18) 1.G94 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>> CA :: 45.785 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.063 HA2 :: 4.681 HA3 :: 4.681 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.661 Ave N Shift Values>> N :: 109.67(3.87) 1.E95 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> E 0.4 C 0.32 M 0.09 K 0.07 Q 0.07 I 0.02 C Shift Assignments>> C :: 176.226 CA :: 56.498 CB :: 30.151 CG :: 36.148 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 :: 10.433(S) HA :: 4.071 HB2 :: 1.860 HB3 :: 1.860 HG2 :: 2.156 HG3 :: 2.017 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.700 Ave N Shift Values>> N :: 120.67(3.48) 1.I96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.66 C 0.33 C Shift Assignments>> CA :: 61.036 CB :: 38.350 CG1 :: 27.360 CG2 :: 17.337 CD1 :: 12.991 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 :: 8.189 HA :: 4.072 HB :: 1.782 HG12 :: 1.372 HG13 :: 1.092 HG21 :: 0.784 HG22 :: 0.784 HG23 :: 0.784 HD11 :: 0.774 HD12 :: 0.774 HD13 :: 0.774 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 122.537 Ave N Shift Values>> N :: 121.46(4.28) 1.C97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.23 I 0.23 R 0.2 L 0.08 Q 0.07 H 0.05 E 0.04 K 0.04 P 0.01 HN Overlap>> 1.V25 1.V25 C Shift Assignments>> C :: 174.455 CA :: 59.296 CB :: 26.887 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.279 HA :: 4.581 HB2 :: 2.810 HB3 :: 2.701 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 :: 116.074 Ave N Shift Values>> N :: 120.17(4.64) 1.L98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.48 C 0.43 A 0.07 C Shift Assignments>> CA :: 56.643 CB :: 40.581 CG :: 26.523 CD1 :: 25.086 CD2 :: 21.359 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 :: 7.252 HA :: 3.789 HB2 :: 1.248 HB3 :: 0.699 HG :: 1.236 HD11 :: 0.178 HD12 :: 0.178 HD13 :: 0.178 HD21 :: 0.105 HD22 :: 0.105 HD23 :: 0.105 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 :: 119.557 Ave N Shift Values>> N :: 121.86(3.9) 1.L99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.54 C 0.23 G 0.11 R 0.06 A 0.04 C Shift Assignments>> C :: 177.391 CA :: 55.070 CB :: 43.610 CG :: 26.841 CD1 :: 25.448 CD2 :: 22.768 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 :: 7.253 HA :: 4.404 HB2 :: 1.645 HB3 :: 1.564 HG :: 1.449 HD11 :: 0.730 HD12 :: 0.730 HD13 :: 0.730 HD21 :: 0.716 HD22 :: 0.716 HD23 :: 0.716 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 :: 113.724 Ave N Shift Values>> N :: 121.86(3.9) 1.T100 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.T140 1.T140 C Shift Assignments>> CA :: 60.739 CB :: 70.753 CG2 :: 20.821 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 :: 7.718 HA :: 4.442 HB :: 4.021 HG21 :: 1.018 HG22 :: 1.018 HG23 :: 1.018 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 111.006 Ave N Shift Values>> N :: 115.42(4.75) 1.R101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.46 C 0.41 G 0.05 K 0.04 L 0.01 C Shift Assignments>> CA :: 57.497 CB :: 29.667 CG :: 27.449 CD :: 43.240 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 :: 8.343 HA :: 4.432 HB2 :: 1.853 HB3 :: 1.739 HG2 :: 1.587 HG3 :: 1.542 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 :: 122.935 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.G102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.68 L 0.17 R 0.05 C 0.03 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> C :: 173.138 CA :: 44.849 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.150 HA2 :: 4.057 HA3 :: 3.844 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.300 Ave N Shift Values>> N :: 109.67(3.87) 1.R103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.41 C 0.3 K 0.25 G 0.02 C Shift Assignments>> C :: 177.471 CA :: 55.205 CB :: 31.595 CG :: 27.819 CD :: 42.708 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 :: 8.325 HA :: 4.676 HB2 :: 1.351 HB3 :: 1.351 HG2 :: 1.557 HG3 :: 1.369 HD2 :: 3.045 HD3 :: 3.045 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 :: 119.232 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.R104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.45 C 0.33 K 0.15 G 0.05 C Shift Assignments>> CA :: 55.112 CB :: 31.459 CG :: 26.242 CD :: 43.112 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 :: 9.094 HA :: 3.802 HB2 :: 1.545 HB3 :: 1.545 HG2 :: 1.536 HG3 :: 1.536 HD2 :: 3.126 HD3 :: 3.126 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 :: 120.595 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.T105 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.A106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.6 L 0.28 C 0.1 HN Overlap>> 1.D35 1.D35 C Shift Assignments>> C :: 176.539 CA :: 51.194 CB :: 22.191 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.419 HA :: 4.669 HB1 :: 1.137 HB2 :: 1.137 HB3 :: 1.137 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.075 Ave N Shift Values>> N :: 123.23(3.54) 1.S107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.N33 1.N33 C Shift Assignments>> C :: 172.428 CA :: 57.138 CB :: 65.091 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.365 HA :: 4.772 HB2 :: 4.085 HB3 :: 4.085 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 :: 113.580 Ave N Shift Values>> N :: 116.28(3.52) 1.V108 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> V 0.55 C 0.44 C Shift Assignments>> C :: 173.759 CA :: 61.161 CB :: 34.208 CG1 :: 21.011 CG2 :: 20.289 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 :: 8.985 HA :: 4.850 HB :: 1.185 HG11 :: 0.429 HG12 :: 0.429 HG13 :: 0.429 HG21 :: -0.348(S) HG22 :: -0.348(S) HG23 :: -0.348(S) 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 :: 121.492 Ave N Shift Values>> N :: 121.14(4.54) 1.R109 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.48 K 0.2 G 0.19 R 0.11 C Shift Assignments>> C :: 174.065 CA :: 52.797 CB :: 34.783 CG :: 25.812 CD :: 43.130 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 :: 8.751 HA :: 4.518 HB2 :: 1.217 HB3 :: 0.660(S) HG2 :: 0.873 HG3 :: 0.521(S) HD2 :: 2.697 HD3 :: 2.536 HE :: 6.623 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 :: 129.873 NE :: 83.706 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.A110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.82 M 0.15 C 0.01 HN Overlap>> 1.C114 1.C114 C Shift Assignments>> C :: 177.133 CA :: 52.739 CB :: 18.751 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.745 HA :: 4.084 HB1 :: 1.386 HB2 :: 1.386 HB3 :: 1.386 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 127.858 Ave N Shift Values>> N :: 123.23(3.54) 1.D111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.25 L 0.23 K 0.15 F 0.12 Y 0.09 C 0.06 N 0.05 R 0.02 C Shift Assignments>> C :: 176.513 CA :: 55.247 CB :: 41.305 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 :: 9.208 HA :: 4.630 HB2 :: 2.445 HB3 :: 2.262 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 126.771 Ave N Shift Values>> N :: 120.65(3.86) 1.T112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.66 T 0.3 A 0.03 C Shift Assignments>> C :: 173.759 CA :: 59.333 CB :: 73.340 CG2 :: 20.178 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 :: 7.256 HA :: 4.545 HB :: 4.606 HG21 :: 1.051 HG22 :: 1.051 HG23 :: 1.051 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 :: 108.771 Ave N Shift Values>> N :: 115.42(4.75) 1.Y113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.28 Y 0.25 C 0.2 F 0.2 E 0.03 C Shift Assignments>> C :: 177.824 CA :: 59.882 CB :: 38.284 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 :: 8.443 HA :: 4.422 HB2 :: 3.082 HB3 :: 2.849 HD1 :: 7.064 HD2 :: 7.064 HE1 :: 6.668 HE2 :: 6.668 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 119.597 Ave N Shift Values>> N :: 120.52(4.2) 1.C114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.21 R 0.15 E 0.13 K 0.12 H 0.12 M 0.11 Q 0.06 V 0.06 HN Overlap>> 1.A110 1.A110 C Shift Assignments>> C :: 172.313 CA :: 58.449 CB :: 31.451 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.741 HA :: 5.328 HB2 :: 2.573 HB3 :: 2.264 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 :: 127.921 Ave N Shift Values>> N :: 120.17(4.64) 1.R115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 R 0.37 G 0.18 K 0.03 C Shift Assignments>> C :: 173.982 CA :: 55.314 CB :: 32.784 CG :: 27.431 CD :: 43.989 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 :: 9.005 HA :: 4.410 HB2 :: 1.976 HB3 :: 1.907 HG2 :: 1.641 HG3 :: 1.641 HD2 :: 3.492 HD3 :: 3.334 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 :: 121.281 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.L116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.75 C 0.22 L 0.01 C Shift Assignments>> C :: 174.324 CA :: 52.542 CB :: 46.060 CG :: 27.681 CD1 :: 28.284 CD2 :: 26.761 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 :: 8.949 HA :: 5.312 HB2 :: 1.717 HB3 :: 1.662 HG :: 1.556 HD11 :: 0.638 HD12 :: 0.638 HD13 :: 0.638 HD21 :: 0.764 HD22 :: 0.764 HD23 :: 0.764 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 :: 123.294 Ave N Shift Values>> N :: 121.86(3.9) 1.Y117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.22 R 0.2 K 0.19 F 0.11 D 0.09 Y 0.07 C 0.05 C Shift Assignments>> CA :: 56.777 CB :: 42.523 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 :: 8.967 HA :: 5.670 HB2 :: 2.854 HB3 :: 2.625 HD1 :: 6.778 HD2 :: 6.778 HE1 :: 6.647 HE2 :: 6.647 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 :: 115.674 Ave N Shift Values>> N :: 120.52(4.2) 1.S118 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> T 0.54 S 0.45 C Shift Assignments>> CA :: 54.510 CB :: 67.641 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 10.324(S) HA :: 5.349 HB2 :: 3.318 HB3 :: 3.152 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 118.613 Ave N Shift Values>> N :: 116.28(3.52) 1.L119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.59 A 0.17 C 0.14 L 0.08 C Shift Assignments>> C :: 174.738 CA :: 52.559 CB :: 46.184 CG :: 26.177 CD1 :: 22.489 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 :: 8.001 HA :: 4.891 HB2 :: 1.553 HB3 :: 1.194 HG :: 0.891 HD11 :: 0.862 HD12 :: 0.862 HD13 :: 0.862 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) 1.S120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.072 CA :: 55.712 CB :: 65.297 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.929 HA :: 5.036 HB2 :: 4.348 HB3 :: 3.925 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 :: 122.508 Ave N Shift Values>> N :: 116.28(3.52) 1.V121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.88 C 0.11 C Shift Assignments>> C :: 177.576 CA :: 65.875 CB :: 32.005 CG1 :: 23.047 CG2 :: 20.709 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 :: 8.548 HA :: 3.604 HB :: 1.955 HG11 :: 0.927 HG12 :: 0.927 HG13 :: 0.927 HG21 :: 0.997 HG22 :: 0.997 HG23 :: 0.997 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 :: 122.663 Ave N Shift Values>> N :: 121.14(4.54) 1.D122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.28 Y 0.27 C 0.13 D 0.09 L 0.08 I 0.07 N 0.02 K 0.01 HN Overlap>> 1.S4 1.N9 1.S4 1.N9 C Shift Assignments>> C :: 178.949 CA :: 57.436 CB :: 39.886 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 :: 8.251 HA :: 4.464 HB2 :: 2.691 HB3 :: 2.411 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 :: 118.531 Ave N Shift Values>> N :: 120.65(3.86) 1.N123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 N 0.46 D 0.07 C Shift Assignments>> C :: 176.441 CA :: 55.956 CB :: 38.348 CG :: 175.552 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 :: 7.908 HA :: 4.649 HB2 :: 2.909 HB3 :: 2.387 HD21 :: 8.314 HD22 :: 7.179 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 117.993 ND2 :: 112.650 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.F124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.4 Y 0.21 F 0.21 C 0.15 C Shift Assignments>> C :: 176.565 CA :: 61.189 CB :: 39.541 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 :: 8.707 HA :: 4.111 HB2 :: 3.236 HB3 :: 2.933 HD1 :: 7.168 HD2 :: 7.168 HE1 :: 7.059 HE2 :: 7.059 HZ :: 6.420 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 :: 121.615 Ave N Shift Values>> N :: 120.45(4.18) 1.N125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 N 0.43 D 0.06 C Shift Assignments>> C :: 177.854 CA :: 56.222 CB :: 38.064 CG :: 175.907 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 :: 8.628 HA :: 4.227 HB2 :: 2.912 HB3 :: 2.735 HD21 :: 7.608 HD22 :: 6.912 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 :: 116.590 ND2 :: 111.667 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.E126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 E 0.34 I 0.14 K 0.06 Q 0.03 M 0.01 C Shift Assignments>> C :: 179.506 CA :: 59.377 CB :: 29.573 CG :: 36.192 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 :: 7.758 HA :: 3.983 HB2 :: 2.324 HB3 :: 2.054 HG2 :: 2.446 HG3 :: 2.162 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 :: 120.264 Ave N Shift Values>> N :: 120.67(3.48) 1.V127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.8 C 0.19 C Shift Assignments>> C :: 178.762 CA :: 65.945 CB :: 31.436 CG1 :: 23.139 CG2 :: 23.139 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 :: 7.542 HA :: 3.821 HB :: 1.864 HG11 :: 0.873 HG12 :: 0.873 HG13 :: 0.873 HG21 :: 0.745 HG22 :: 0.745 HG23 :: 0.745 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 :: 119.307 Ave N Shift Values>> N :: 121.14(4.54) 1.L128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.59 C 0.37 R 0.01 C Shift Assignments>> C :: 178.898 CA :: 57.836 CB :: 41.982 CG :: 26.059 CD1 :: 25.177 CD2 :: 24.437 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 :: 8.089 HA :: 3.933 HB2 :: 1.485 HB3 :: 1.308 HG :: 1.239 HD11 :: 0.449 HD12 :: 0.449 HD13 :: 0.449 HD21 :: 0.552 HD22 :: 0.552 HD23 :: 0.552 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.704 Ave N Shift Values>> N :: 121.86(3.9) 1.E129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.34 I 0.1 K 0.09 Q 0.06 M 0.02 HN Overlap>> 1.Y131 1.Y131 1.K23 1.K23 C Shift Assignments>> C :: 178.021 CA :: 58.669 CB :: 29.481 CG :: 36.062 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 :: 7.538 HA :: 3.898 HB2 :: 2.055 HB3 :: 1.989 HG2 :: 2.357 HG3 :: 2.273 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 :: 116.825 Ave N Shift Values>> N :: 120.67(3.48) 1.E130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.41 C 0.34 M 0.1 K 0.05 Q 0.05 I 0.02 C Shift Assignments>> C :: 175.267 CA :: 56.607 CB :: 30.317 CG :: 36.321 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 :: 7.373 HA :: 4.042 HB2 :: 2.053 HB3 :: 1.909 HG2 :: 2.246 HG3 :: 2.014 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 :: 115.630 Ave N Shift Values>> N :: 120.67(3.48) 1.Y131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.22 F 0.22 D 0.15 C 0.13 N 0.11 L 0.08 I 0.03 HN Overlap>> 1.E129 1.K23 1.E129 1.K23 C Shift Assignments>> CA :: 56.126 CB :: 39.351 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 :: 7.510 HA :: 4.797 HB2 :: 2.928 HB3 :: 2.640 HD1 :: 7.342 HD2 :: 7.342 HE1 :: 6.669 HE2 :: 6.669 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 116.930 Ave N Shift Values>> N :: 120.52(4.2) 1.P132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.86 C 0.13 C Shift Assignments>> C :: 179.701 CA :: 64.969 CB :: 31.698 CG :: 27.376 CD :: 50.298 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 :: 4.334 HB2 :: 2.309 HB3 :: 2.309 HG2 :: 1.930 HG3 :: 1.872 HD2 :: 3.563 HD3 :: 3.230 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.M133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 M 0.42 A 0.01 C Shift Assignments>> C :: 179.718 CA :: 57.895 CB :: 30.672 CG :: 32.525 CE :: 16.973 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 :: 8.926 HA :: 4.320 HB2 :: 2.139 HB3 :: 2.035 HG2 :: 2.703 HG3 :: 2.486 HE1 :: 2.062 HE2 :: 2.062 HE3 :: 2.062 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 :: 117.052 Ave N Shift Values>> N :: 120.09(3.57) 1.M134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 M 0.41 A 0.14 C Shift Assignments>> C :: 177.256 CA :: 54.913 CB :: 30.562 CG :: 30.578 CE :: 16.072 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 :: 7.760 HA :: 4.295 HB2 :: 1.580 HB3 :: 1.580 HG2 :: 1.882 HG3 :: 1.882 HE1 :: 1.561 HE2 :: 1.561 HE3 :: 1.561 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 :: 118.613 Ave N Shift Values>> N :: 120.09(3.57) 1.R135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 R 0.4 G 0.06 K 0.02 C Shift Assignments>> C :: 178.188 CA :: 60.261 CB :: 29.504 CG :: 27.382 CD :: 43.155 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 :: 7.677 HA :: 3.763 HB2 :: 1.909 HB3 :: 1.772 HG2 :: 1.600 HG3 :: 1.531 HD2 :: 3.160 HD3 :: 3.097 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 :: 120.147 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.R136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.42 C 0.42 K 0.08 G 0.05 L 0.01 C Shift Assignments>> C :: 178.427 CA :: 58.537 CB :: 29.727 CG :: 26.690 CD :: 43.224 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 :: 7.682 HA :: 4.069 HB2 :: 1.812 HB3 :: 1.812 HG2 :: 1.634 HG3 :: 1.634 HD2 :: 3.151 HD3 :: 3.151 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 :: 116.559 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.A137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.53 A 0.41 I 0.02 C 0.01 C Shift Assignments>> C :: 179.793 CA :: 54.631 CB :: 17.674 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.366 HA :: 4.032 HB1 :: 1.250 HB2 :: 1.250 HB3 :: 1.250 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.688 Ave N Shift Values>> N :: 123.23(3.54) 1.F138 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.28 F 0.23 C 0.2 I 0.18 E 0.04 D 0.01 L 0.01 C Shift Assignments>> C :: 176.871 CA :: 58.783 CB :: 38.377 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 :: 7.950 HA :: 4.439 HB2 :: 3.292 HB3 :: 3.063 HD1 :: 7.151 HD2 :: 7.151 HE1 :: 7.111 HE2 :: 7.111 HZ :: 6.880 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 :: 116.636 Ave N Shift Values>> N :: 120.45(4.18) 1.E139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.39 C 0.38 I 0.1 K 0.05 M 0.03 Q 0.02 C Shift Assignments>> C :: 177.831 CA :: 58.484 CB :: 29.888 CG :: 36.575 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 :: 8.002 HA :: 4.090 HB2 :: 2.142 HB3 :: 2.049 HG2 :: 2.496 HG3 :: 2.251 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 :: 118.990 Ave N Shift Values>> N :: 120.67(3.48) 1.T140 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.94 C 0.05 HN Overlap>> 1.T100 1.T100 C Shift Assignments>> C :: 175.074 CA :: 63.239 CB :: 69.318 CG2 :: 21.459 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 :: 7.676 HA :: 4.190 HB :: 4.279 HG21 :: 1.177 HG22 :: 1.177 HG23 :: 1.177 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 111.018 Ave N Shift Values>> N :: 115.42(4.75) 1.V141 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.76 C 0.23 C Shift Assignments>> C :: 176.006 CA :: 63.397 CB :: 32.064 CG1 :: 21.432 CG2 :: 20.977 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 :: 7.477 HA :: 3.904 HB :: 2.057 HG11 :: 0.927 HG12 :: 0.927 HG13 :: 0.927 HG21 :: 0.825 HG22 :: 0.825 HG23 :: 0.825 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 :: 121.307 Ave N Shift Values>> N :: 121.14(4.54) 1.A142 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.82 M 0.15 C 0.01 C Shift Assignments>> CA :: 52.881 CB :: 18.858 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.129 HA :: 4.187 HB1 :: 1.309 HB2 :: 1.309 HB3 :: 1.309 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.867 Ave N Shift Values>> N :: 123.23(3.54) 1.I143 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.69 C 0.3 HN Overlap>> 1.M42 1.M42 C Shift Assignments>> C :: 172.703 CA :: 61.566 CB :: 38.203 CG1 :: 27.377 CG2 :: 17.381 CD1 :: 12.771 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 :: 7.951 HA :: 4.023 HB :: 1.816 HG12 :: 1.142 HG13 :: 1.142 HG21 :: 0.844 HG22 :: 0.844 HG23 :: 0.844 HD11 :: 0.776 HD12 :: 0.776 HD13 :: 0.776 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 :: 119.617 Ave N Shift Values>> N :: 121.46(4.28) 1.D144 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> D 0.27 L 0.2 F 0.13 Y 0.1 K 0.09 N 0.08 C 0.06 C Shift Assignments>> C :: 177.121 CA :: 55.130 CB :: 40.889 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> HA :: 4.474 HB2 :: 2.626 HB3 :: 2.626 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.R145 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.48 C 0.39 K 0.06 G 0.04 C Shift Assignments>> C :: 174.226 CA :: 56.585 CB :: 30.236 CG :: 26.989 CD :: 43.143 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 :: 7.992 HA :: 4.177 HB2 :: 1.838 HB3 :: 1.700 HG2 :: 1.600 HG3 :: 1.546 HD2 :: 3.113 HD3 :: 3.113 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 :: 119.156 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.L146 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.62 C 0.33 R 0.02 A 0.01 HN Overlap>> 1.K151 1.K151 C Shift Assignments>> C :: 177.573 CA :: 56.273 CB :: 41.940 CG :: 26.914 CD1 :: 24.767 CD2 :: 23.276 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 :: 8.011 HA :: 4.141 HB2 :: 1.684 HB3 :: 1.684 HG :: 1.612 HD11 :: 0.831 HD12 :: 0.831 HD13 :: 0.831 HD21 :: 0.774 HD22 :: 0.774 HD23 :: 0.774 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 :: 120.572 Ave N Shift Values>> N :: 121.86(3.9) 1.D147 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 L 0.2 F 0.12 N 0.11 Y 0.1 K 0.07 C 0.06 C Shift Assignments>> C :: 176.570 CA :: 54.823 CB :: 40.779 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 :: 8.132 HA :: 4.439 HB2 :: 2.639 HB3 :: 2.639 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 :: 119.293 Ave N Shift Values>> N :: 120.65(3.86) 1.R148 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.48 C 0.4 K 0.06 G 0.04 HN Overlap>> 1.M42 1.M42 C Shift Assignments>> C :: 176.942 CA :: 56.609 CB :: 30.592 CG :: 27.013 CD :: 43.153 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 :: 7.951 HA :: 4.200 HB2 :: 1.753 HB3 :: 1.710 HG2 :: 1.545 HG3 :: 1.545 HD2 :: 3.113 HD3 :: 3.113 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 :: 119.494 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.I149 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.74 C 0.25 C Shift Assignments>> C :: 176.969 CA :: 62.364 CB :: 38.204 CG1 :: 27.700 CG2 :: 17.275 CD1 :: 12.974 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 :: 7.923 HA :: 3.890 HB :: 1.854 HG12 :: 1.468 HG13 :: 1.149 HG21 :: 0.841 HG22 :: 0.841 HG23 :: 0.841 HD11 :: 0.778 HD12 :: 0.778 HD13 :: 0.778 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 :: 119.880 Ave N Shift Values>> N :: 121.46(4.28) 1.G150 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.85 L 0.08 C 0.02 R 0.01 C Shift Assignments>> C :: 177.070 CA :: 45.382 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.321 HA2 :: 3.880 HA3 :: 4.018 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.580 Ave N Shift Values>> N :: 109.67(3.87) 1.K151 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.46 C 0.38 R 0.13 HN Overlap>> 1.R22 1.L146 1.R22 1.L146 C Shift Assignments>> CA :: 56.225 CB :: 32.872 CG :: 24.533 CD :: 28.924 CE :: 42.096 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 :: 8.018 HA :: 4.213 HB2 :: 1.773 HB3 :: 1.690 HG2 :: 1.355 HG3 :: 1.355 HD2 :: 1.605 HD3 :: 1.605 HE2 :: 2.923 HE3 :: 2.923 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 :: 120.619 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K152 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.N153 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S154 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 174.381 CA :: 58.484 CB :: 63.729 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> HA :: 4.379 HB2 :: 3.780 HB3 :: 3.780 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.I155 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.68 C 0.31 C Shift Assignments>> C :: 175.697 CA :: 61.267 CB :: 38.546 CG1 :: 27.362 CG2 :: 17.335 CD1 :: 12.899 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 :: 8.006 HA :: 4.036 HB :: 1.786 HG12 :: 1.374 HG13 :: 1.095 HG21 :: 0.791 HG22 :: 0.791 HG23 :: 0.791 HD11 :: 0.775 HD12 :: 0.775 HD13 :: 0.775 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 121.819 Ave N Shift Values>> N :: 121.46(4.28) 1.L156 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.68 C 0.25 A 0.02 R 0.01 G 0.01 C Shift Assignments>> C :: 176.637 CA :: 54.796 CB :: 42.171 CG :: 26.741 CD1 :: 24.699 CD2 :: 23.369 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 :: 8.080 HA :: 4.279 HB2 :: 1.508 HB3 :: 1.508 HG :: 1.494 HD11 :: 0.832 HD12 :: 0.832 HD13 :: 0.832 HD21 :: 0.772 HD22 :: 0.772 HD23 :: 0.772 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 :: 125.009 Ave N Shift Values>> N :: 121.86(3.9) 1.L157 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.67 C 0.25 A 0.02 R 0.02 G 0.01 C Shift Assignments>> C :: 175.956 CA :: 54.915 CB :: 42.323 CG :: 26.783 CD1 :: 24.794 CD2 :: 23.360 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 :: 8.056 HA :: 4.240 HB2 :: 1.506 HB3 :: 1.506 HG :: 1.522 HD11 :: 0.833 HD12 :: 0.833 HD13 :: 0.833 HD21 :: 0.775 HD22 :: 0.775 HD23 :: 0.775 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 :: 123.187 Ave N Shift Values>> N :: 121.86(3.9) 1.H158 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.17 H 0.16 E 0.16 C 0.15 Q 0.12 M 0.09 K 0.08 V 0.01 C Shift Assignments>> CA :: 57.059 CB :: 30.671 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 :: 7.710 HA :: 4.335 HB2 :: 3.121 HB3 :: 2.969 HD2 :: 7.021 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 :: 123.950 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) ########################################################################### Overall Results: #Consistent: 152 #Clerical: 0 #Suspicious: 6 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 152 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 6 Shift Relative Order (SRO) Results: #Consistent: 158 #Suspicious: 0 C Shift Results: #Consistent: 624 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent:1103 #Duplicate: 0 #Unknown: 0 #Suspicious: 10 #Anomalous: 0 N Shift Results: #Consistent: 149 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.I57 HB = 0.597(S), Expected = 1.78, Std = 0.2900, ChiSquare = 4.5170e-05 1.I57 HG13 = -1.105(S), Expected = 1.19, Std = 0.4100, ChiSquare = 2.1739e-08 1.Y68 HB3 = 0.615(S), Expected = 2.84, Std = 0.3900, ChiSquare = 1.1626e-08 1.E95 H = 10.433(S), Expected = 8.33, Std = 0.5900, ChiSquare = 3.6468e-04 1.V108 HG21 = -0.348(S), Expected = 0.80, Std = 0.2800, ChiSquare = 4.1315e-05 1.V108 HG22 = -0.348(S), Expected = 0.80, Std = 0.2800, ChiSquare = 4.1315e-05 1.V108 HG23 = -0.348(S), Expected = 0.80, Std = 0.2800, ChiSquare = 4.1315e-05 1.R109 HB3 = 0.660(S), Expected = 1.76, Std = 0.2800, ChiSquare = 8.5452e-05 1.R109 HG3 = 0.521(S), Expected = 1.54, Std = 0.2900, ChiSquare = 4.4176e-04 1.S118 H = 10.324(S), Expected = 8.28, Std = 0.5900, ChiSquare = 5.3140e-04