G1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable P2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.81 C 0.18 C Shift Assignments>> C :: 176.961 CA :: 63.309 CB :: 32.426 CG :: 26.941 CD :: 49.841 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.39 HB2 :: 2.226 HB3 :: 1.937 HG2 :: 1.915 HG3 :: 1.861 HD2 :: 3.478 HD3 :: 3.482 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) L3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.64 C 0.28 K 0.02 A 0.02 G 0.01 C Shift Assignments>> C :: 177.888 CA :: 55.428 CB :: 42.208 CD1 :: 23.358 CD2 :: 24.785 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.44 HA :: 4.269 HB2 :: 1.575 HB3 :: 1.575 HG :: 1.506 HD1 :: 0.808 HD2 :: 0.808 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 122.227 Ave N Shift Values>> N :: 121.98(4.07) G4 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.79 L 0.08 C 0.07 R 0.02 C Shift Assignments>> C :: 174.115(D) CA :: 45.41(D) Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.305(D) HA2 :: 3.957(D) HA3 :: 3.957(D) Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.843(D) Ave N Shift Values>> N :: 109.91(4.29) S5 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 HN Overlap>> S42 C Shift Assignments>> C :: 174.376(D) CA :: 58.255(D) CB :: 64.046(D) Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.187(D) HA :: 4.418(D) HB2 :: 3.801(D) HB3 :: 3.814(D) Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 115.561(D) Ave N Shift Values>> N :: 116.3(3.95) D6 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.26 L 0.18 K 0.12 C 0.11 F 0.09 N 0.08 Y 0.08 R 0.02 HN Overlap>> T71 C Shift Assignments>> C :: 175.873(D) CA :: 54.702(D) CB :: 41.027(D) Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.43(D) HA :: 4.521(D) HB2 :: 2.552(D) HB3 :: 2.556(D) Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 121.858(D) Ave N Shift Values>> N :: 120.73(4.2) H7 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.16 Q 0.15 K 0.13 C 0.12 W 0.11 R 0.11 E 0.11 M 0.05 L 0.01 I 0.01 C Shift Assignments>> C :: 174.396(D) CA :: 55.329(D) CB :: 29.435(D) Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 8.305(D) HA :: 4.628(D) HB2 :: 3.063(D) HB3 :: 3.199(D) Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 118.354(D) Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) E8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.35 C 0.34 M 0.14 K 0.06 Q 0.05 I 0.03 HN Overlap>> K38 C Shift Assignments>> C :: 175.638 CA :: 56.441 CB :: 30.733 CG :: 36.112 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.251 HA :: 4.149 HB2 :: 1.85 HB3 :: 1.933 HG2 :: 2.187 HG3 :: 2.186 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 122.285 Ave N Shift Values>> N :: 120.68(3.68) Q9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.39 C 0.36 Q 0.15 E 0.05 K 0.03 C Shift Assignments>> C :: 174.928 CA :: 56.102 CB :: 32.381 CG :: 33.221 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.236 HA :: 3.851 HB2 :: 1.868 HB3 :: 2.04 HG2 :: 2.414 HG3 :: 2.532 HE21 :: 5.728 HE22 :: 7.382 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 121.574 NE2 :: 105.139 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) I10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 I 0.47 A 0.01 C Shift Assignments>> C :: 174.956 CA :: 58.787 CB :: 38.886 CG1 :: 29.2 CG2 :: 19.375 CD1 :: 13.74 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.265 HA :: 4.361 HB :: 1.732 HG2 :: 0.586 HG12 :: 1.451 HG13 :: 1.451 HD1 :: 1.007 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 127.529 Ave N Shift Values>> N :: 121.6(4.72) L11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.36 C 0.31 L 0.15 A 0.12 G 0.03 C Shift Assignments>> C :: 175.477 CA :: 54.372 CB :: 42.569 CG :: 26.466 CD1 :: 28.588 CD2 :: 22.088 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.618 HA :: 4.45 HB2 :: 0.983 HB3 :: 1.2 HG :: 1.526 HD1 :: 0.458 HD2 :: 0.603 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 118.06 Ave N Shift Values>> N :: 121.98(4.07) V12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.73 C 0.26 C Shift Assignments>> C :: 175.516 CA :: 62.27 CB :: 33.231 CG1 :: 20.828 CG2 :: 21.136 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.738 HA :: 3.909 HB :: 1.719 HG1 :: 0.87 HG2 :: 0.819 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 119.389 Ave N Shift Values>> N :: 121.02(4.96) L13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.43 C 0.33 G 0.13 K 0.06 L 0.03 C Shift Assignments>> C :: 175.671 CA :: 55.294 CB :: 43.779 CG :: 30.305 CD1 :: 26.872 CD2 :: 24.257 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.711 HA :: 4.761 HB2 :: 1.422 HB3 :: 1.731 HG :: 1.418 HD1 :: 0.658 HD2 :: 0.606 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 132.744 Ave N Shift Values>> N :: 121.98(4.07) D14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.68 L 0.11 C 0.09 R 0.04 D 0.04 C Shift Assignments>> C :: 173.683 CA :: 51.175 CB :: 44.273 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.226 HA :: 4.589 HB2 :: 2.343 HB3 :: 2.624 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 119.439 Ave N Shift Values>> N :: 120.73(4.2) P15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.39 P 0.21 I 0.18 K 0.07 Q 0.04 R 0.03 E 0.02 V 0.02 C Shift Assignments>> CA :: 61.663 CB :: 34.313 CG :: 26.372 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 5.144 HB2 :: 2.146 HB3 :: 2.442 HG2 :: 1.804 HG3 :: 2.006 HD2 :: 3.561 HD3 :: 3.623 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) P16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.83 C 0.11 R 0.01 I 0.01 C Shift Assignments>> C :: 178.81 CA :: 64.271 CB :: 32.21 CG :: 27.333 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.324 HB2 :: 1.95 HB3 :: 2.265 HG2 :: 2.156 HG3 :: 2.145 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) T17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.94 C 0.05 C Shift Assignments>> C :: 172.802 CA :: 63.792 CB :: 71.78 CG2 :: 21.774 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.747 HA :: 4.531 HB :: 3.133 HG2 :: 1.134 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 107.67 Ave N Shift Values>> N :: 115.7(5.05) D18 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.3 D 0.18 R 0.17 C 0.11 K 0.07 G 0.05 F 0.03 N 0.02 Y 0.02 C Shift Assignments>> C :: 174.112(D) CA :: 53.304(D) CB :: 43.032(D) Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.423(D) HA :: 5.287(D) HB2 :: 2.113(D) HB3 :: 2.415(D) Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 122.634(D) Ave N Shift Values>> N :: 120.73(4.2) L19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.56 C 0.2 G 0.18 R 0.03 A 0.01 HN Overlap>> K121 C Shift Assignments>> C :: 173.919 CA :: 53.475 CB :: 43.602 CG :: 26.038 CD1 :: 24.071 CD2 :: 26.038 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.871 HA :: 4.209 HB2 :: 1.581 HB3 :: 0.989 HG :: 1.178 HD1 :: 0.407 HD2 :: 0.269 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 123.616 Ave N Shift Values>> N :: 121.98(4.07) K20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.51 C 0.45 M 0.02 C Shift Assignments>> C :: 175.39 CA :: 55.148 CB :: 33.673 CG :: 25.295 CD :: 29.298 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.158 HA :: 4.965 HB2 :: 1.506 HB3 :: 1.506 HG2 :: 0.996 HG3 :: 1.195 HD2 :: 1.528 HD3 :: 1.528 HE2 :: 2.821 HE3 :: 2.82 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 123.458 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) F21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.19 Q 0.19 K 0.17 M 0.17 E 0.06 W 0.05 R 0.04 H 0.04 V 0.03 C Shift Assignments>> C :: 173.86 CA :: 56.977 CB :: 33.709 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 9.053 HA :: 4.566 HB2 :: 3.017 HB3 :: 3.14 HD1 :: 7.159 HD2 :: 7.159 HE1 :: 6.548 HE2 :: 6.549 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 123.695 Ave N Shift Values>> N :: 120.69(4.18) K22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.51 C 0.44 M 0.04 C Shift Assignments>> C :: 175.42 CA :: 54.964 CB :: 33.562 CG :: 24.704 CD :: 29.471 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.407 HA :: 4.978 HB2 :: 1.735 HB3 :: 1.708 HG2 :: 1.256 HG3 :: 1.59 HD2 :: 1.624 HD3 :: 1.645 HE2 :: 2.888 HE3 :: 2.888 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 126.028 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) G23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.37 L 0.27 K 0.07 C 0.07 D 0.06 F 0.04 G 0.04 Y 0.03 I 0.01 C Shift Assignments>> C :: 170.998 CA :: 43.056 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.137 HA2 :: 3.526 HA3 :: 3.866 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 112.11 Ave N Shift Values>> N :: 109.91(4.29) P24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.43 I 0.38 V 0.07 K 0.06 P 0.01 C Shift Assignments>> C :: 175.908 CA :: 61.944 CB :: 35.692 CG :: 25.018 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 3.773 HB2 :: 1.978 HB3 :: 2.302 HG2 :: 1.723 HG3 :: 1.723 HD2 :: 3.389 HD3 :: 3.361 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) F25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.25 Y 0.23 E 0.16 F 0.15 I 0.1 M 0.02 N 0.02 D 0.01 K 0.01 C Shift Assignments>> C :: 174.22 CA :: 57.768 CB :: 37.617 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.685 HA :: 4.809 HB2 :: 2.042 HB3 :: 3.33 HD1 :: 7.04 HD2 :: 7.04 HE1 :: 6.549 HE2 :: 6.549 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 122.273 Ave N Shift Values>> N :: 120.69(4.18) T26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.87 C 0.12 C Shift Assignments>> C :: 173.561 CA :: 61.334 CB :: 68.612 CG2 :: 22.441 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 6.886 HA :: 4.154 HB :: 4.327 HG2 :: 1.109 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 104.972 Ave N Shift Values>> N :: 115.7(5.05) D27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.49 L 0.18 C 0.11 R 0.08 D 0.07 F 0.01 N 0.01 C Shift Assignments>> C :: 173.959 CA :: 51.621 CB :: 43.993 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 7.827 HA :: 4.661 HB2 :: 2.656 HB3 :: 2.431 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 121.286 Ave N Shift Values>> N :: 120.73(4.2) V28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.83 C 0.16 C Shift Assignments>> C :: 176.876 CA :: 63.642 CB :: 32.548 CG1 :: 21.463 CG2 :: 22.785 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.956 HA :: 4.141 HB :: 1.829 HG1 :: 0.752 HG2 :: 0.982 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 120.499 Ave N Shift Values>> N :: 121.02(4.96) V29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.63 C 0.35 C Shift Assignments>> C :: 174.81 CA :: 62.221 CB :: 34.945 CG1 :: 21.882 CG2 :: 22.958 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.473 HA :: 4.493 HB :: 2.227 HG1 :: 1.248 HG2 :: 1.25 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 130.611 Ave N Shift Values>> N :: 121.02(4.96) T30 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.89 C 0.1 C Shift Assignments>> C :: 174.772(D) CA :: 61.304(D) CB :: 70.661(D) CG2 :: 21.872(D) Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.652(D) HA :: 5.621(D) HB :: 3.912(D) HG2 :: 1.049(D) Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 121.579(D) Ave N Shift Values>> N :: 115.7(5.05) T31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.89 C 0.1 C Shift Assignments>> C :: 171.475 CA :: 60.989 CB :: 71.351 CG2 :: 20.979 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 9.238 HA :: 4.432 HB :: 3.505 HG2 :: 0.537 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 122.532 Ave N Shift Values>> N :: 115.7(5.05) N32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.34 N 0.21 L 0.15 C 0.11 K 0.05 F 0.04 Y 0.04 R 0.01 C Shift Assignments>> C :: 173.618 CA :: 52.197 CB :: 41.052 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.129 HA :: 5.491 HB2 :: 2.596 HB3 :: 2.189 HD21 :: 6.758 HD22 :: 7.238 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 121.703 ND2 :: 111.339 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) L33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.44 L 0.38 C 0.14 A 0.02 C Shift Assignments>> C :: 173.858 CA :: 53.668 CB :: 44.793 CD1 :: 25.258 CD2 :: 23.553 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 9.023 HA :: 4.687 HB2 :: 0.954 HB3 :: 1.529 HG :: 1.059 HD1 :: 0.393 HD2 :: 0.633 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 124.759 Ave N Shift Values>> N :: 121.98(4.07) K34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.41 C 0.4 R 0.14 M 0.02 C Shift Assignments>> C :: 175.303 CA :: 55.79 CB :: 34.169 CG :: 25.403 CD :: 29.539 CE :: 41.294 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 9.044 HA :: 4.773 HB2 :: 1.772 HB3 :: 1.483 HG2 :: 1.347 HG3 :: 1.333 HD2 :: 1.483 HD3 :: 1.506 HE2 :: 2.822 HE3 :: 2.819 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 126.997 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) L35 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Duplicate PRTL>> L 0.65 C 0.17 G 0.13 R 0.02 C Shift Assignments>> C :: 174.099(D) CA :: 52.966(D) CB :: 43.406(D) CG :: 26.514(D) CD1 :: 25.002(D) CD2 :: 24.995(D) Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.741(D) HA :: 4.619(D) HB2 :: 1.513(D) HB3 :: 1.513(D) HG :: 1.112(D) HD1 :: -0.271(S) HD2 :: 0.272(D) Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 123.123(D) Ave N Shift Values>> N :: 121.98(4.07) R36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 R 0.28 K 0.2 G 0.1 HN Overlap>> N37 C Shift Assignments>> C :: 174.664 CA :: 54.253 CB :: 33.401 CG :: 27.651 CD :: 43.373 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.7 HA :: 5.101 HB2 :: 1.666 HB3 :: 1.531 HG2 :: 1.189 HG3 :: 1.11 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 122.932 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) N37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.3 G 0.26 C 0.22 D 0.15 L 0.02 F 0.01 Y 0.01 HN Overlap>> R36 C Shift Assignments>> CA :: 48.497 CB :: 39.988 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.631 HA :: 5.136 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 123.003 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) P38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.65 C 0.2 R 0.05 K 0.03 V 0.02 I 0.01 C Shift Assignments>> C :: 176.118 CA :: 62.767 CB :: 32.394 CG :: 26.38 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.685 HB2 :: 1.891 HB3 :: 2.111 HG2 :: 1.979 HG3 :: 2.002 HD2 :: 3.901 HD3 :: 4.204 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) S39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.84 T 0.15 HN Overlap>> K110 C Shift Assignments>> C :: 172.45 CA :: 58.507 CB :: 66.244 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.883 HA :: 4.652 HB2 :: 3.975 HB3 :: 4.329 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 118.637 Ave N Shift Values>> N :: 116.3(3.95) D40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 N 0.21 L 0.13 C 0.11 F 0.07 Y 0.06 K 0.05 HN Overlap>> T69 C Shift Assignments>> C :: 175.851 CA :: 53.422 CB :: 40.509 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.236 HA :: 4.629 HB2 :: 2.602 HB3 :: 2.782 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 115.973 Ave N Shift Values>> N :: 120.73(4.2) R41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.58 K 0.17 G 0.13 R 0.09 HN Overlap>> R58 E33 C Shift Assignments>> C :: 175.344 CA :: 54.533 CB :: 34.943 CG :: 26.197 CD :: 43.353 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.504 HA :: 4.592 HB2 :: 2.019 HB3 :: 1.969 HG2 :: 1.501 HG3 :: 1.603 HD2 :: 2.708 HD3 :: 2.498 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 120.833 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) K42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.65 K 0.32 M 0.01 C Shift Assignments>> C :: 176.619 CA :: 57.774 CB :: 34.152 CG :: 26.755 CD :: 29.955 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.698 HA :: 4.273 HB2 :: 1.719 HB3 :: 1.726 HG2 :: 1.424 HG3 :: 1.41 HD2 :: 1.594 HD3 :: 1.598 HE2 :: 2.938 HE3 :: 2.937 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 120.133 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) V43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.59 V 0.38 I 0.01 HN Overlap>> D104 C Shift Assignments>> C :: 175.264 CA :: 61.453 CB :: 36.768 CG1 :: 21.395 CG2 :: 21.957 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.997 HA :: 4.536 HB :: 1.593 HG1 :: 0.648 HG2 :: 0.748 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 121.773 Ave N Shift Values>> N :: 121.02(4.96) C44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.15 Q 0.14 W 0.13 H 0.12 E 0.12 C 0.11 R 0.09 I 0.03 M 0.02 L 0.02 C Shift Assignments>> C :: 173.588 CA :: 57.242 CB :: 28.919 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 9.103 HA :: 5.387 HB2 :: 2.558 HB3 :: 3.01 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 125.271 Ave N Shift Values>> N :: 119.95(4.79) F45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.54 L 0.19 C 0.13 R 0.08 D 0.01 F 0.01 C Shift Assignments>> C :: 173.325 CA :: 55.245 CB :: 45.142 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 9.044 HA :: 6.321 HB2 :: 2.42 HB3 :: 2.673 HD1 :: 6.611 HD2 :: 6.611 HE1 :: 6.805 HE2 :: 6.805 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 118.475 Ave N Shift Values>> N :: 120.69(4.18) K46 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.59 K 0.38 M 0.01 C Shift Assignments>> C :: 174.423 CA :: 56.023 CB :: 35.859 CG :: 24.49 CD :: 28.666 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 9.051 HA :: 4.546 HB2 :: 1.056 HB3 :: 1.055 HG2 :: 0.596 HG3 :: 0.595 HD2 :: 0.728(S) HD3 :: 0.407(S) HE2 :: 1.817(S) HE3 :: 1.56(S) Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 119.913 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) V47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.7 C 0.29 C Shift Assignments>> C :: 175.043 CA :: 62.067 CB :: 32.572 CG1 :: 20.808 CG2 :: 22.705 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.403 HA :: 4.788 HB :: 1.957 HG1 :: 0.924 HG2 :: 1 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 121.586 Ave N Shift Values>> N :: 121.02(4.96) K48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.3 C 0.25 Y 0.12 E 0.09 F 0.07 D 0.06 M 0.03 I 0.01 L 0.01 K 0.01 C Shift Assignments>> C :: 174.839 CA :: 54.374 CB :: 37.499 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 9.402 HA :: 5.173 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 125.443 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) T49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.62 T 0.17 A 0.17 S 0.01 C Shift Assignments>> C :: 172.681 CA :: 59.045 CB :: 69.604 CG2 :: 17.052 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 9.763 HA :: 5.14 HB :: 3.067 HG2 :: 0.701 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 113.452 Ave N Shift Values>> N :: 115.7(5.05) T50 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> T 0.94 C 0.05 C Shift Assignments>> C :: 174.958 CA :: 62.505 CB :: 69.49 CG2 :: 21.441 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.925 HA :: 4.72 HG2 :: 0.125(S) Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 118.266 Ave N Shift Values>> N :: 115.7(5.05) A51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.89 M 0.07 C 0.02 C Shift Assignments>> C :: 174.479 CA :: 49.653 CB :: 18.947 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.813 HA :: 4.984 HB :: 0.66 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.68 Ave N Shift Values>> N :: 123.23(3.7) P52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.85 C 0.1 I 0.01 R 0.01 C Shift Assignments>> C :: 175.838 CA :: 64.607 CB :: 32.197 CG :: 27.707 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.168 HB2 :: 1.806 HB3 :: 2.275 HG2 :: 1.937 HG3 :: 1.991 HD2 :: 3.65 HD3 :: 3.65 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) R53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.44 C 0.34 K 0.13 L 0.04 G 0.03 HN Overlap>> G67 C Shift Assignments>> C :: 176.724 CA :: 56.291 CB :: 29.56 CG :: 27.553 CD :: 42.744 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.223 HA :: 4.29 HB2 :: 1.585 HB3 :: 1.582 HG2 :: 1.479 HG3 :: 1.479 HD2 :: 3.034 HD3 :: 3.034 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 114.566 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) R54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 K 0.33 R 0.29 C Shift Assignments>> C :: 173.93 CA :: 54.626 CB :: 31.166 CG :: 26.255 CD :: 41.6 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.591 HA :: 3.998 HB2 :: 1.395 HB3 :: 1.25 HG2 :: 1.035 HG3 :: 1.059 HD2 :: 2.662 HD3 :: 2.76 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 115.678 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) Y55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.26 G 0.24 R 0.23 C 0.14 F 0.03 D 0.03 Y 0.02 K 0.01 C Shift Assignments>> C :: 174.811 CA :: 56.304 CB :: 44.374 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 6.93 HA :: 5.552 HB2 :: 2.413 HB3 :: 2.84 HD1 :: 6.878 HD2 :: 6.881 HE1 :: 6.261 HE2 :: 6.26 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 114.075 Ave N Shift Values>> N :: 120.79(4.69) C56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.14 C 0.13 M 0.13 H 0.12 W 0.12 E 0.11 K 0.11 Q 0.08 V 0.01 C Shift Assignments>> C :: 173.594 CA :: 56.626 CB :: 31.328 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.645 HA :: 5.078 HB2 :: 2.71 HB3 :: 2.605 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 114.001 Ave N Shift Values>> N :: 119.95(4.79) V57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.58 V 0.41 C Shift Assignments>> C :: 173.734 CA :: 60.338 CB :: 35.392 CG1 :: 22.477 CG2 :: 22.477 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.92 HA :: 5.151 HB :: 1.661 HG1 :: 0.792 HG2 :: 0.792 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 121.617 Ave N Shift Values>> N :: 121.02(4.96) R58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 M 0.2 Q 0.1 K 0.09 N 0.08 E 0.08 Y 0.02 H 0.01 W 0.01 R 0.01 HN Overlap>> R41 E33 C Shift Assignments>> C :: 174.615 CA :: 53.071 CB :: 34.943 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.481 HA :: 4.973 HB2 :: 1.688 HB3 :: 1.812 HG2 :: 1.586 HG3 :: 1.633 HD2 :: 3.183 HD3 :: 3.188 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 120.745 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) P59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.34 V 0.31 I 0.2 P 0.09 K 0.03 C Shift Assignments>> C :: 174.775 CA :: 63.489 CB :: 34.578 CG :: 24.674 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 5.186 HB2 :: 2.573 HB3 :: 2.47 HG2 :: 2.162 HG3 :: 2.162 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) N60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.52 C 0.21 D 0.08 Y 0.06 F 0.04 E 0.03 M 0.02 L 0.01 C Shift Assignments>> C :: 174.822 CA :: 52.596 CB :: 37.702 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.991 HA :: 4.422 HB2 :: 2.806 HB3 :: 3.293 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 114.492 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) S61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.615 CA :: 56.622 CB :: 64.639 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.509 HA :: 4.104 HB2 :: 3.717 HB3 :: 3.889 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 110.192 Ave N Shift Values>> N :: 116.3(3.95) G62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 C 0.09 L 0.06 R 0.01 C Shift Assignments>> C :: 170.535 CA :: 45.843 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 6.997 HA2 :: 3.796 HA3 :: 3.909 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 104.605 Ave N Shift Values>> N :: 109.91(4.29) I63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.67 C 0.32 C Shift Assignments>> C :: 175.027 CA :: 60.583 CB :: 41.01 CG1 :: 27.957 CG2 :: 17.392 CD1 :: 14.1 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.454 HA :: 4.92 HB :: 1.663 HG2 :: 0.772 HG12 :: 1.067 HG13 :: 1.589 HD1 :: 0.798 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 120.092 Ave N Shift Values>> N :: 121.6(4.72) I64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.56 C 0.43 C Shift Assignments>> C :: 176.329 CA :: 60.483 CB :: 40.306 CG1 :: 26.672 CG2 :: 19.149 CD1 :: 15.81 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 9.494 HA :: 4.418 HB :: 1.556 HG2 :: 0.986 HG12 :: 0.839 HD1 :: 0.451 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 127.131 Ave N Shift Values>> N :: 121.6(4.72) D65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.23 D 0.21 C 0.17 Y 0.14 F 0.12 L 0.06 E 0.01 I 0.01 C Shift Assignments>> C :: 174.146 CA :: 54.747 CB :: 39.244 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.884 HA :: 4.683 HB2 :: 2.581 HB3 :: 2.544 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 130.514 Ave N Shift Values>> N :: 120.73(4.2) P66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.84 C 0.1 I 0.01 R 0.01 C Shift Assignments>> C :: 177.804 CA :: 64.462 CB :: 32.234 CG :: 27.243 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 3.986 HB2 :: 1.837 HB3 :: 2.228 HG2 :: 1.429 HG3 :: 1.986 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) G67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.77 C 0.16 L 0.04 HN Overlap>> R53 C Shift Assignments>> C :: 174.795 CA :: 46.806 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.219 HA2 :: 3.864 HA3 :: 4.054 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 114.598 Ave N Shift Values>> N :: 109.91(4.29) S68 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 :: 171.97 CA :: 58.605 CB :: 64.857 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.809 HA :: 4.654 HB2 :: 3.861 HB3 :: 3.885 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 115.827 Ave N Shift Values>> N :: 116.3(3.95) T69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.88 C 0.11 HN Overlap>> D40 C Shift Assignments>> C :: 174.314 CA :: 61.113 CB :: 71.552 CG2 :: 21.021 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.221 HA :: 5.352 HB :: 3.765 HG2 :: 0.885 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 116.085 Ave N Shift Values>> N :: 115.7(5.05) V70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 V 0.46 I 0.01 C Shift Assignments>> C :: 173.751 CA :: 60.706 CB :: 35.528 CG1 :: 20.971 CG2 :: 22.333 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.911 HA :: 4.401 HB :: 1.733 HG1 :: 0.784 HG2 :: 0.798 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 125.295 Ave N Shift Values>> N :: 121.02(4.96) T71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.94 C 0.05 HN Overlap>> D6 C Shift Assignments>> C :: 173.308 CA :: 62.355 CB :: 69.332 CG2 :: 21.594 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.406 HA :: 4.62 HG2 :: 0.897 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 121.785 Ave N Shift Values>> N :: 115.7(5.05) V72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.61 C 0.38 C Shift Assignments>> C :: 175.088 CA :: 60.872 CB :: 33.54 CG1 :: 21.179 CG2 :: 21.705 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 9.403 HA :: 4.374 HB :: 1.979 HG1 :: 0.618 HG2 :: 0.724 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 128.78 Ave N Shift Values>> N :: 121.02(4.96) S73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.889 CA :: 58.012 CB :: 64.259 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.603 HA :: 4.804 HB2 :: 3.8 HB3 :: 3.81 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 122.755 Ave N Shift Values>> N :: 116.3(3.95) V74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.63 C 0.36 C Shift Assignments>> C :: 174.529 CA :: 62.559 CB :: 31.772 CG1 :: 19.684 CG2 :: 23.603 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.854 HA :: 4.398 HB :: 2.092 HG1 :: 0.478 HG2 :: 0.759 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 126.891 Ave N Shift Values>> N :: 121.02(4.96) M75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.37 C 0.34 Q 0.13 E 0.12 K 0.02 C Shift Assignments>> C :: 174.899 CA :: 54.985 CB :: 34.459 CG :: 32.314 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 9.353 HA :: 5.027 HG2 :: 2.221 HG3 :: 2.607 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 126.459 Ave N Shift Values>> N :: 120.1(3.88) L76 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 A 0.24 G 0.19 K 0.04 L 0.02 C Shift Assignments>> C :: 175.858 CA :: 54.28 CB :: 43.507 CD1 :: 21.821 CD2 :: 28.874(M) Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 9.383 HA :: 4.268 HB2 :: 1.901 HG :: 1.428 HD1 :: 0.073 HD2 :: 0.398 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 130.042 Ave N Shift Values>> N :: 121.98(4.07) Q77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.25 R 0.17 C 0.13 Q 0.12 H 0.1 K 0.09 W 0.06 E 0.03 M 0.01 C Shift Assignments>> C :: 173.236 CA :: 54.005 CB :: 27.342 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 7.987 HE21 :: 6.555 HE22 :: 7.095 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 125.469 NE2 :: 113.392 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) P78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.76 C 0.15 R 0.03 K 0.01 I 0.01 C Shift Assignments>> C :: 176.05 CA :: 63.454 CB :: 32.194 CG :: 27.6 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.58 HB2 :: 1.723 HB3 :: 1.715 HG2 :: 1.579 HG3 :: 1.961 HD2 :: 3.313 HD3 :: 3.313 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) F79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.18 D 0.18 C 0.17 F 0.17 N 0.12 L 0.08 I 0.02 K 0.01 E 0.01 C Shift Assignments>> C :: 172.601 CA :: 55.718 CB :: 39.532 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.122 HA :: 4.644 HB2 :: 2.753 HB3 :: 2.956 HD1 :: 7.131 HD2 :: 7.138 HE1 :: 6.737 HE2 :: 6.736 HZ :: 7.039 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 117.977 Ave N Shift Values>> N :: 120.69(4.18) D80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 N 0.28 C 0.12 L 0.1 F 0.07 Y 0.07 K 0.02 C Shift Assignments>> C :: 174.177 CA :: 53.35 CB :: 40.047 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.366 HA :: 4.472 HB2 :: 2.436 HB3 :: 2.564 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 120.321 Ave N Shift Values>> N :: 120.73(4.2) Y81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.27 F 0.26 C 0.2 I 0.13 D 0.03 L 0.03 E 0.02 N 0.01 C Shift Assignments>> C :: 173.945 CA :: 58.355 CB :: 39.275 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 7.696 HA :: 4.07 HB2 :: 2.319 HB3 :: 2.59 HD1 :: 6.924 HD2 :: 6.927 HE1 :: 6.746 HE2 :: 6.748 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 126.833 Ave N Shift Values>> N :: 120.79(4.69) D82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.42 C 0.16 D 0.14 L 0.11 N 0.04 R 0.04 K 0.01 F 0.01 C Shift Assignments>> C :: 174.651 CA :: 49.536 CB :: 42.817 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.151 HA :: 4.733 HB2 :: 2.716 HB3 :: 2.43 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 129.135 Ave N Shift Values>> N :: 120.73(4.2) P83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.84 C 0.15 C Shift Assignments>> C :: 177.015 CA :: 63.724 CB :: 32.187 CG :: 26.616 CD :: 50.97 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.043 HB2 :: 2.301 HB3 :: 1.919 HG2 :: 1.799 HG3 :: 1.971 HD2 :: 3.34 HD3 :: 3.553 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) N84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.36 D 0.21 C 0.16 Y 0.1 F 0.08 L 0.05 E 0.01 C Shift Assignments>> C :: 175.203 CA :: 53.736 CB :: 39.018 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.34 HA :: 4.57 HB2 :: 2.703 HB3 :: 2.703 HD21 :: 6.913 HD22 :: 7.876 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 115.526 ND2 :: 115.245 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) E85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.34 C 0.33 M 0.16 K 0.06 Q 0.06 I 0.02 C Shift Assignments>> C :: 176.008 CA :: 56.039 CB :: 30.735 CG :: 35.995 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.574 HA :: 4.22 HB2 :: 1.865 HB3 :: 1.896 HG2 :: 2.118 HG3 :: 2.121 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 121.466 Ave N Shift Values>> N :: 120.68(3.68) K86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.49 C 0.45 M 0.05 HN Overlap>> K88 C Shift Assignments>> C :: 176.553 CA :: 56.217 CB :: 32.475 CG :: 24.723 CD :: 29.273 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.432 HA :: 4.253 HB2 :: 1.685 HB3 :: 1.685 HG2 :: 1.362 HG3 :: 1.363 HD2 :: 1.594 HD3 :: 1.589 HE2 :: 2.93 HE3 :: 2.921 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 125.048 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) S87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.148 CA :: 58.676 CB :: 63.284 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.228 HA :: 4.054 HB2 :: 3.057 HB3 :: 3.373 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 117.226 Ave N Shift Values>> N :: 116.3(3.95) K88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.5 C 0.44 M 0.05 HN Overlap>> K86 C Shift Assignments>> C :: 176.214 CA :: 55.592 CB :: 32.867 CG :: 24.683 CD :: 29.24 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.461 HA :: 4.408 HB2 :: 1.577 HB3 :: 1.833 HG2 :: 1.281 HG3 :: 1.287 HD2 :: 1.577 HD3 :: 1.574 HE2 :: 2.916 HE3 :: 2.914 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 124.994 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) H89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.19 C 0.16 K 0.16 R 0.11 H 0.1 W 0.09 E 0.07 Q 0.06 V 0.01 C Shift Assignments>> C :: 175.302 CA :: 55.684 CB :: 32.199 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 8.015 HA :: 4.371 HB2 :: 2.964 HB3 :: 3.125 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 121.181 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) K90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.48 C 0.43 G 0.04 K 0.02 C Shift Assignments>> C :: 175.517 CA :: 55.038 CB :: 38.395 CG :: 25.515 CD :: 30.095 CE :: 42.745 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.039 HA :: 5.323 HB2 :: 1.613 HB3 :: 2.013 HG2 :: 1.481 HG3 :: 1.483 HD2 :: 1.667 HD3 :: 1.668 HE2 :: 2.932 HE3 :: 2.936 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 118.488 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) F91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.55 L 0.15 C 0.15 R 0.09 F 0.01 Y 0.01 C Shift Assignments>> C :: 174.323 CA :: 56.92 CB :: 45.221 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 9.319 HA :: 5.239 HB2 :: 2.681 HB3 :: 2.65 HD1 :: 6.794 HD2 :: 6.791 HE1 :: 6.275 HE2 :: 6.273 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 121.075 Ave N Shift Values>> N :: 120.69(4.18) M92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.64 E 0.23 M 0.07 I 0.03 K 0.01 C Shift Assignments>> C :: 174.364 CA :: 53.951 CB :: 38.187 CG :: 30.709 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 8.933 HA :: 5.238 HB2 :: 1.03 HB3 :: 1.069 HG2 :: 1.62 HG3 :: 1.825 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 120.321 Ave N Shift Values>> N :: 120.1(3.88) V93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.68 C 0.31 C Shift Assignments>> C :: 174.547 CA :: 61.587 CB :: 32.728 CG1 :: 21.055 CG2 :: 21.057 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.821 HA :: 4.536 HB :: 1.772 HG1 :: 0.675 HG2 :: 0.679 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 126.778 Ave N Shift Values>> N :: 121.02(4.96) Q94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 M 0.35 E 0.14 Q 0.04 C Shift Assignments>> C :: 175.399 CA :: 54.239 CB :: 32.882 CG :: 35.518 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.921 HA :: 5.387 HB2 :: 1.557 HB3 :: 1.895 HG2 :: 2.085 HG3 :: 2.193 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 129.512 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) T95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.87 T 0.12 C Shift Assignments>> C :: 172.605 CA :: 58.73 CB :: 72.835 CG2 :: 23.882 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 9.491 HA :: 5.839 HB :: 4.001 HG2 :: 1.007 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 115.414 Ave N Shift Values>> N :: 115.7(5.05) I96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.58 C 0.38 G 0.02 C Shift Assignments>> C :: 175.151 CA :: 59.865 CB :: 42.095 CG1 :: 26.343 CG2 :: 16.962 CD1 :: 13.71 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.948 HA :: 4.357 HB :: 1.624 HG2 :: 0.263 HG12 :: 1.085 HG13 :: 1.931 HD1 :: 0.238 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 112.547 Ave N Shift Values>> N :: 121.6(4.72) F97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.3 Y 0.23 F 0.21 C 0.19 E 0.03 C Shift Assignments>> C :: 176.119 CA :: 60.287 CB :: 38.682 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.494 HA :: 4.547 HB2 :: 2.682 HB3 :: 2.988 HD1 :: 7.305 HD2 :: 7.305 HE1 :: 7.253 HE2 :: 7.253 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 123.437 Ave N Shift Values>> N :: 120.69(4.18) A98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.88 M 0.08 C 0.02 C Shift Assignments>> C :: 175.653 CA :: 50.317 CB :: 19.024 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.318 HA :: 4.211 HB :: 1.125 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.406 Ave N Shift Values>> N :: 123.23(3.7) P99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.42 C 0.3 R 0.21 K 0.03 C Shift Assignments>> CA :: 61.545 CB :: 30.522 CG :: 26.753 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.719 HB2 :: 2.013 HB3 :: 2.231 HG2 :: 1.78 HG3 :: 1.973 HD2 :: 3.255 HD3 :: 3.644 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) P100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.86 C 0.1 R 0.01 I 0.01 C Shift Assignments>> C :: 176.83 CA :: 64.739 CB :: 32.002 CG :: 27.518 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.182 HB2 :: 2.256 HB3 :: 2.256 HG2 :: 1.81 HG3 :: 1.935 HD2 :: 3.631 HD3 :: 3.632 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) N101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.52 C 0.16 D 0.15 Y 0.06 F 0.04 L 0.02 E 0.01 C Shift Assignments>> C :: 175.286 CA :: 52.468 CB :: 38.505 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 7.849 HA :: 4.789 HB2 :: 2.638 HB3 :: 2.854 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 113.569 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) T102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.9 C 0.09 C Shift Assignments>> C :: 173.706 CA :: 61.232 CB :: 68.675 CG2 :: 21.593 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.107 HA :: 4.125 HB :: 4.285 HG2 :: 0.907 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 115.028 Ave N Shift Values>> N :: 115.7(5.05) S103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.835 CA :: 60.213 CB :: 63.386 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.268 HA :: 4.175 HB2 :: 3.803 HB3 :: 3.803 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 118.168 Ave N Shift Values>> N :: 116.3(3.95) D104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.33 N 0.18 L 0.16 C 0.11 K 0.07 F 0.05 Y 0.04 R 0.02 HN Overlap>> V43 C Shift Assignments>> C :: 176.388 CA :: 52.56 CB :: 41.194 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.014 HA :: 4.802 HB2 :: 2.413 HB3 :: 2.786 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 121.748 Ave N Shift Values>> N :: 120.73(4.2) M105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.32 M 0.3 Q 0.15 K 0.14 R 0.03 E 0.03 C Shift Assignments>> C :: 178.193 CA :: 56.576 CB :: 31.098 CG :: 32.317 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 8.698 HA :: 4.221 HB2 :: 2.073 HB3 :: 2.073 HG2 :: 2.533 HG3 :: 2.727 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 123.438 Ave N Shift Values>> N :: 120.1(3.88) E106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.31 I 0.26 K 0.06 Q 0.01 M 0.01 HN Overlap>> N20 C Shift Assignments>> C :: 179.416 CA :: 59.488 CB :: 29.09 CG :: 36.598 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.187 HA :: 4.17 HB2 :: 2.074 HB3 :: 2.046 HG2 :: 2.294 HG3 :: 2.294 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 118.766 Ave N Shift Values>> N :: 120.68(3.68) A107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.47 M 0.46 C 0.02 I 0.02 C Shift Assignments>> C :: 179.505 CA :: 54.568 CB :: 18.328 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.446 HA :: 4.014 HB :: 1.341 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.859 Ave N Shift Values>> N :: 123.23(3.7) V108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.92 C 0.07 C Shift Assignments>> C :: 178.489 CA :: 65.649 CB :: 31.179 CG1 :: 20.918 CG2 :: 22.733 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.337 HA :: 3.408 HB :: 1.937 HG1 :: 0.286 HG2 :: 0.817 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 117.247 Ave N Shift Values>> N :: 121.02(4.96) W109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.16 C 0.14 E 0.13 I 0.12 R 0.09 K 0.09 H 0.09 Q 0.09 V 0.03 M 0.02 C Shift Assignments>> C :: 178.992 CA :: 59.504 CB :: 29.444 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 7.365 HA :: 4.219 HB2 :: 3.03 HB3 :: 3.252 HD1 :: 7.241 HZ2 :: 6.858 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 116.959 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) K110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 K 0.48 M 0.02 HN Overlap>> S39 C Shift Assignments>> C :: 178.274 CA :: 58.971 CB :: 32.883 CG :: 25.295 CD :: 29.373 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.822 HA :: 4.094 HB2 :: 1.898 HB3 :: 1.898 HG2 :: 1.479 HG3 :: 1.479 HD2 :: 1.66 HD3 :: 1.667 HE2 :: 2.921 HE3 :: 2.921 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 118.576 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) E111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.35 M 0.09 K 0.08 Q 0.04 I 0.03 C Shift Assignments>> C :: 176.332 CA :: 55.787 CB :: 30.116 CG :: 36.381 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.595 HA :: 4.225 HB2 :: 1.8 HB3 :: 2.084 HG2 :: 2.183 HG3 :: 2.342 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 115.346 Ave N Shift Values>> N :: 120.68(3.68) A112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.73 M 0.22 C 0.02 C Shift Assignments>> C :: 177.704 CA :: 52.74 CB :: 18.894 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 6.981 HA :: 4.073 HB :: 1.26 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.292 Ave N Shift Values>> N :: 123.23(3.7) K113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.19 C 0.17 H 0.14 R 0.12 K 0.11 W 0.09 Q 0.06 E 0.06 C Shift Assignments>> C :: 176.398 CA :: 54.034 CB :: 31.6 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.938 HA :: 4.556 HB2 :: 1.587 HB3 :: 1.991 HE2 :: 3.022 HE3 :: 3.022 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 125.162 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) P114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.87 C 0.12 C Shift Assignments>> C :: 178.321 CA :: 65.781 CB :: 31.888 CG :: 27.699 CD :: 50.083 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.149 HB2 :: 1.944 HB3 :: 2.338 HG2 :: 2.095 HG3 :: 2.025 HD2 :: 3.727 HD3 :: 3.875 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) D115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.25 N 0.16 C 0.14 F 0.12 Y 0.12 L 0.11 K 0.03 I 0.01 C Shift Assignments>> C :: 176.467 CA :: 54.804 CB :: 39.989 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.251 HA :: 4.403 HB2 :: 2.628 HB3 :: 2.628 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 111.817 Ave N Shift Values>> N :: 120.73(4.2) E116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 E 0.38 M 0.11 I 0.05 K 0.02 C Shift Assignments>> C :: 175.895 CA :: 56.336 CB :: 30.93 CG :: 37.167 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.934 HA :: 4.268 HB2 :: 2.166 HB3 :: 2.248 HG2 :: 2.251 HG3 :: 2.251 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 117.483 Ave N Shift Values>> N :: 120.68(3.68) L117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.57 C 0.23 G 0.14 K 0.03 C Shift Assignments>> C :: 176.991 CA :: 55.101 CB :: 43.566 CD1 :: 24.194 CD2 :: 25.604 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 6.874 HA :: 4.588 HB2 :: 1.397 HB3 :: 1.729 HG :: 1.692 HD1 :: 0.823 HD2 :: 0.823 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 118.982 Ave N Shift Values>> N :: 121.98(4.07) M118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 E 0.2 N 0.13 M 0.12 Y 0.08 K 0.05 F 0.03 Q 0.02 D 0.01 I 0.01 HN Overlap>> K121 C Shift Assignments>> C :: 175.013 CA :: 54.705 CB :: 36.185 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 8.927 HA :: 4.484 HB2 :: 2.487 HB3 :: 2.487 HG2 :: 2.287 HG3 :: 2.375 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 123.477 Ave N Shift Values>> N :: 120.1(3.88) D119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.41 L 0.25 R 0.12 C 0.12 D 0.04 F 0.01 Y 0.01 C Shift Assignments>> C :: 175.232 CA :: 54.076 CB :: 44.618 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.519 HA :: 5.426 HB2 :: 2.281 HB3 :: 2.461 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 118.809 Ave N Shift Values>> N :: 120.73(4.2) S120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.9 T 0.09 C Shift Assignments>> C :: 172.697 CA :: 58.24 CB :: 66.046 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.051 HA :: 4.716 HB2 :: 3.295 HB3 :: 3.982 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 115.481 Ave N Shift Values>> N :: 116.3(3.95) K121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 K 0.42 M 0.01 HN Overlap>> L19 M118 C Shift Assignments>> C :: 176.089 CA :: 55.488 CB :: 35.09 CG :: 25.841 CD :: 29.391 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.844 HA :: 5.202 HB2 :: 1.727 HB3 :: 1.772 HG2 :: 1.082 HG3 :: 1.382 HD2 :: 1.563 HD3 :: 1.579 HE2 :: 2.806 HE3 :: 2.665 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 123.55 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) L122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.43 C 0.39 L 0.15 R 0.01 C Shift Assignments>> C :: 176.09 CA :: 54.282 CB :: 46.312 CG :: 28.241 CD1 :: 25.798 CD2 :: 25.996 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 9.146 HA :: 4.984 HB2 :: 1.29 HB3 :: 1.29 HG :: 1.275 HD1 :: 0.516 HD2 :: 0.53 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 122.681 Ave N Shift Values>> N :: 121.98(4.07) R123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.39 C 0.35 K 0.17 G 0.07 C Shift Assignments>> C :: 175.28 CA :: 55.206 CB :: 32.158 CG :: 27.549 CD :: 43.376 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.342 HA :: 4.716 HB2 :: 1.928 HB3 :: 1.928 HG2 :: 1.584 HG3 :: 1.584 HD2 :: 3.117 HD3 :: 3.117 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 120.77 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) C124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.14 E 0.14 Q 0.12 H 0.12 C 0.12 R 0.12 K 0.11 I 0.04 M 0.04 V 0.01 C Shift Assignments>> C :: 173.99 CA :: 57.903 CB :: 29.656 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.634 HA :: 5.316 HB2 :: 2.814 HB3 :: 2.814 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 119.09 Ave N Shift Values>> N :: 119.95(4.79) V125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.59 C 0.4 C Shift Assignments>> C :: 173.887 CA :: 61.462 CB :: 35.219 CG1 :: 20.935 CG2 :: 20.948 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 9.116 HA :: 4.105 HB :: 1.795 HG1 :: 0.732 HG2 :: 0.869 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 124.917 Ave N Shift Values>> N :: 121.02(4.96) F126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.24 N 0.23 C 0.15 Y 0.12 F 0.11 L 0.08 K 0.01 I 0.01 C Shift Assignments>> C :: 175.606 CA :: 54.477 CB :: 39.565 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.699 HA :: 5.688 HB2 :: 3.063 HB3 :: 3.102 HD1 :: 7.111 HD2 :: 7.109 HE1 :: 6.965 HE2 :: 6.97 HZ :: 6.762 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 126.336 Ave N Shift Values>> N :: 120.69(4.18) E127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.6 M 0.22 E 0.16 C Shift Assignments>> C :: 174.637 CA :: 55.036 CB :: 33.384 CG :: 36.587 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 9.153 HA :: 4.81 HB2 :: 1.902 HB3 :: 1.902 HG2 :: 2.074 HG3 :: 2.06 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 123.5 Ave N Shift Values>> N :: 120.68(3.68) M128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.33 C 0.22 M 0.15 K 0.06 H 0.06 Q 0.04 R 0.04 W 0.03 E 0.01 C Shift Assignments>> C :: 174.168 CA :: 51.671 CB :: 32.669 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 8.734 HA :: 4.833 HB2 :: 1.782 HB3 :: 2.076 HG2 :: 2.424 HG3 :: 2.576 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 123.725 Ave N Shift Values>> N :: 120.1(3.88) P129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.82 C 0.17 C Shift Assignments>> C :: 176.231 CA :: 63.383 CB :: 32.184 CG :: 27.486 CD :: 50.929 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.341 HB2 :: 2.18 HB3 :: 1.886 HG2 :: 1.811 HG3 :: 1.959 HD2 :: 3.382 HD3 :: 3.52 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) N130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.39 D 0.2 C 0.15 Y 0.09 F 0.07 L 0.04 E 0.01 C Shift Assignments>> C :: 174.07 CA :: 53.478 CB :: 38.989 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.501 HA :: 4.613 HB2 :: 2.741 HB3 :: 2.741 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 119.271 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) E131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.14 W 0.14 R 0.13 E 0.12 H 0.1 M 0.1 K 0.1 Q 0.06 V 0.04 I 0.02 C Shift Assignments>> C :: 180.821 CA :: 58.05 CB :: 31.328 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.775 HA :: 4.065 HB2 :: 1.828 HB3 :: 1.992 HG2 :: 2.109 HG3 :: 2.109 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 125.559 Ave N Shift Values>> N :: 120.68(3.68) W8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.14 W 0.14 Q 0.13 H 0.13 R 0.12 K 0.11 C 0.11 M 0.04 I 0.03 C Shift Assignments>> C :: 176.748 CA :: 57.308 CB :: 29.618 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 7.918 HA :: 4.569 HB2 :: 3.154 HB3 :: 3.253 HD1 :: 7.163 HE1 :: 10.074 HZ2 :: 7.447 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 121.537 NE1 :: 129.23 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) G9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 C 0.08 L 0.08 R 0.02 C Shift Assignments>> C :: 174.093 CA :: 45.484 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.236 HA2 :: 3.813 HA3 :: 3.813 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.578 Ave N Shift Values>> N :: 109.91(4.29) K10 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.45 C 0.45 R 0.05 M 0.03 C Shift Assignments>> C :: 177.174 CA :: 56.404 CB :: 33.103 CG :: 24.77 CD :: 29.079 CE :: 45.425(S) Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.053 HA :: 4.248 HB2 :: 1.807 HB3 :: 1.807 HG2 :: 1.345 HG3 :: 1.345 HD2 :: 1.634 HD3 :: 1.634 HE2 :: 2.918 HE3 :: 2.918 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 120.529 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) G11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.78 L 0.08 C 0.07 R 0.02 C Shift Assignments>> C :: 173.84 CA :: 45.402 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.392 HA2 :: 3.874 HA3 :: 3.874 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.75 Ave N Shift Values>> N :: 109.91(4.29) D12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.27 L 0.2 K 0.13 C 0.1 N 0.09 F 0.08 Y 0.06 R 0.03 HN Overlap>> M13 C Shift Assignments>> C :: 176.329 CA :: 54.264 CB :: 41.275 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.174 HA :: 4.536 HB2 :: 2.593 HB3 :: 2.593 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 120.301 Ave N Shift Values>> N :: 120.73(4.2) M13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.42 C 0.35 Q 0.12 K 0.04 E 0.02 HN Overlap>> D12 C Shift Assignments>> C :: 176.256 CA :: 55.544 CB :: 32.506 CG :: 32.062 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 8.263 HA :: 4.431 HB2 :: 1.934 HB3 :: 2.06 HG2 :: 2.435 HG3 :: 2.513 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 120.232 Ave N Shift Values>> N :: 120.1(3.88) S14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.361 CA :: 58.604 CB :: 63.851 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.29 HA :: 4.362 HB2 :: 3.807 HB3 :: 3.807 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 116.826 Ave N Shift Values>> N :: 116.3(3.95) D15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.26 L 0.2 K 0.13 C 0.1 F 0.08 N 0.08 Y 0.06 R 0.04 HN Overlap>> R39 C Shift Assignments>> C :: 176.281 CA :: 54.405 CB :: 41.3 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.352 HA :: 4.571 HB2 :: 2.571 HB3 :: 2.641 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 122.525 Ave N Shift Values>> N :: 120.73(4.2) E16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.35 M 0.11 K 0.06 I 0.04 Q 0.04 C Shift Assignments>> C :: 176.237 CA :: 56.712 CB :: 30.485 CG :: 36.259 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.209 HA :: 4.195 HB2 :: 1.836 HB3 :: 2 HG2 :: 2.18 HG3 :: 2.18 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 120.475 Ave N Shift Values>> N :: 120.68(3.68) D17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.26 L 0.2 K 0.14 C 0.1 N 0.08 F 0.07 Y 0.06 R 0.04 C Shift Assignments>> C :: 175.805 CA :: 54.293 CB :: 41.401 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.252 HA :: 4.558 HB2 :: 2.542 HB3 :: 2.662 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 121.038 Ave N Shift Values>> N :: 120.73(4.2) E19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.34 K 0.1 M 0.06 I 0.06 Q 0.05 C Shift Assignments>> C :: 176.063 CA :: 56.827 CB :: 29.77 CG :: 36.222 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.323 HA :: 4.225 HB2 :: 1.903 HB3 :: 1.988 HG2 :: 2.169 HG3 :: 2.169 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 121.266 Ave N Shift Values>> N :: 120.68(3.68) N20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 N 0.26 C 0.12 L 0.11 F 0.07 Y 0.06 K 0.03 HN Overlap>> E106 C Shift Assignments>> C :: 174.035 CA :: 53.188 CB :: 40.253 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.228 HA :: 4.613 HB2 :: 2.514 HB3 :: 2.633 HD21 :: 6.904 HD22 :: 7.635 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 118.687 ND2 :: 113.926 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) E21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.35 C 0.34 M 0.16 K 0.06 Q 0.05 I 0.02 C Shift Assignments>> C :: 174.323 CA :: 55.818 CB :: 30.766 CG :: 36.116 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.887 HA :: 4.138 HB2 :: 1.641 HB3 :: 1.648 HG2 :: 1.949 HG3 :: 1.744 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 120.763 Ave N Shift Values>> N :: 120.68(3.68) F22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.21 F 0.19 Y 0.14 C 0.13 L 0.12 R 0.08 D 0.05 I 0.04 C Shift Assignments>> C :: 174.744 CA :: 58.112 CB :: 41.516 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.107 HA :: 4.046 HB2 :: 2.383 HB3 :: 2.688 HD1 :: 6.764 HD2 :: 6.764 HE2 :: 6.934 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 119.251 Ave N Shift Values>> N :: 120.69(4.18) F23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.26 L 0.25 K 0.13 C 0.11 D 0.08 F 0.07 Y 0.05 G 0.02 C Shift Assignments>> C :: 175.267 CA :: 56.242 CB :: 42.93 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.666 HA :: 4.68 HB2 :: 2.461 HB3 :: 3.24 HD1 :: 7.164 HD2 :: 7.16 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 119.984 Ave N Shift Values>> N :: 120.69(4.18) D24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.21 F 0.2 C 0.17 D 0.15 L 0.09 N 0.06 I 0.03 K 0.03 E 0.01 C Shift Assignments>> C :: 175.5 CA :: 56.394 CB :: 39.782 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.979 HA :: 4.331 HB2 :: 2.382 HB3 :: 2.547 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 123.121 Ave N Shift Values>> N :: 120.73(4.2) A25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.87 M 0.05 G 0.04 C 0.02 C Shift Assignments>> C :: 174.157 CA :: 49.119 CB :: 18.659 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.269 HA :: 4.545 HB :: 1.16 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 126.097 Ave N Shift Values>> N :: 123.23(3.7) P26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.65 C 0.2 R 0.04 K 0.03 I 0.03 Q 0.01 C Shift Assignments>> C :: 176.003 CA :: 62.784 CB :: 32.71 CG :: 27.538 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.614 HB2 :: 2.258 HB3 :: 2.29 HG2 :: 2.131 HG3 :: 2.343 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) E27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 E 0.36 M 0.13 I 0.05 K 0.01 C Shift Assignments>> C :: 176.542 CA :: 57.118 CB :: 31.415 CG :: 37.028 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.667 HA :: 4.827 HB2 :: 2.03 HB3 :: 2.03 HG2 :: 2.481 HG3 :: 2.681 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 117.576 Ave N Shift Values>> N :: 120.68(3.68) I28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.63 C 0.35 C Shift Assignments>> C :: 174.698 CA :: 60.059 CB :: 41.552 CG1 :: 27.278 CG2 :: 17.267 CD1 :: 13.504 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.38 HA :: 4.347 HB :: 1.701 HG2 :: 0.798 HG12 :: 1.369 HG13 :: 1.007 HD1 :: 0.798 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 116.061 Ave N Shift Values>> N :: 121.6(4.72) I29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.94 I 0.04 C Shift Assignments>> C :: 175.848 CA :: 60.791 CB :: 39.161 CG1 :: 27.774 CG2 :: 12.762 CD1 :: 17.488 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.25 HA :: 4.142 HB :: 1.617 HG2 :: 0.644 HG12 :: 1.022 HG13 :: 1.342 HD1 :: 0.762 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 125.129 Ave N Shift Values>> N :: 121.6(4.72) M31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.23 M 0.22 K 0.13 H 0.1 R 0.09 Q 0.07 W 0.06 E 0.03 P 0.01 C Shift Assignments>> C :: 174.052 CA :: 53.114 CB :: 32.48 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 8.373 HA :: 4.73 HB2 :: 1.877 HB3 :: 1.992 HG2 :: 2.475 HG3 :: 2.555 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 124.323 Ave N Shift Values>> N :: 120.1(3.88) P32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.75 C 0.16 R 0.04 K 0.01 I 0.01 C Shift Assignments>> C :: 176.94 CA :: 63.308 CB :: 32.067 CG :: 27.375 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.313 HB2 :: 1.846 HB3 :: 2.221 HG2 :: 1.962 HG3 :: 1.962 HD2 :: 3.604 HD3 :: 3.744 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) E33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.35 M 0.1 K 0.06 I 0.05 Q 0.04 HN Overlap>> R41 R58 C Shift Assignments>> C :: 176.338 CA :: 57.065 CB :: 30.401 CG :: 36.312 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.552 HA :: 4.122 HB2 :: 1.902 HB3 :: 1.902 HG2 :: 2.185 HG3 :: 2.185 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 120.794 Ave N Shift Values>> N :: 120.68(3.68) N34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.44 D 0.17 C 0.16 Y 0.08 F 0.06 L 0.03 E 0.01 C Shift Assignments>> C :: 175.186 CA :: 53.273 CB :: 38.63 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.374 HA :: 4.614 HB2 :: 2.688 HB3 :: 2.766 HD21 :: 6.823 HD22 :: 7.532 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 119.068 ND2 :: 112.585 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) G36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.08 L 0.07 R 0.02 C Shift Assignments>> C :: 174.123 CA :: 45.575 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.294 HA2 :: 3.818 HA3 :: 3.818 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.605 Ave N Shift Values>> N :: 109.91(4.29) H37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.15 R 0.15 W 0.13 E 0.13 C 0.12 Q 0.12 M 0.08 K 0.07 I 0.01 C Shift Assignments>> C :: 175.336 CA :: 56.214 CB :: 30.501 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 8.025 HA :: 4.573 HB2 :: 3.034 HB3 :: 3.034 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 119.056 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) K38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.4 C 0.37 R 0.18 M 0.03 HN Overlap>> E8 C Shift Assignments>> C :: 176.471 CA :: 56.358 CB :: 32.85 CG :: 24.781 CD :: 29.059 CE :: 42.026 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.201 HA :: 4.215 HB2 :: 1.714 HB3 :: 1.714 HG2 :: 1.289 HG3 :: 1.289 HD2 :: 1.612 HD3 :: 1.616 HE2 :: 2.9 HE3 :: 2.9 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 122.343 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) R39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.44 C 0.36 K 0.11 G 0.06 HN Overlap>> D15 C Shift Assignments>> C :: 176.534 CA :: 56.228 CB :: 30.718 CG :: 27.072 CD :: 43.309 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.403 HA :: 4.329 HB2 :: 1.726 HB3 :: 1.785 HG2 :: 1.545 HG3 :: 1.545 HD2 :: 3.084 HD3 :: 3.084 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 122.512 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) T40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.93 C 0.06 C Shift Assignments>> C :: 175.036 CA :: 61.968 CB :: 69.881 CG2 :: 21.532 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.169 HA :: 4.301 HB :: 4.177 HG2 :: 1.133 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 115.157 Ave N Shift Values>> N :: 115.7(5.05) G41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 L 0.08 C 0.08 R 0.02 C Shift Assignments>> C :: 174.128 CA :: 45.433 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.416 HA2 :: 3.94 HA3 :: 3.94 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.147 Ave N Shift Values>> N :: 109.91(4.29) S42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> S5 C Shift Assignments>> C :: 174.427 CA :: 58.613 CB :: 63.981 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.192 HA :: 4.327 HB2 :: 3.711 HB3 :: 3.711 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 115.472 Ave N Shift Values>> N :: 116.3(3.95) H43 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable H44 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable H45 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable H46 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable H47 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable H48 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable ########################################################################### Overall Results: #Consistent: 158 #Clerical: 6 #Suspicious: 4 #Anomalous: 1 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 162 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 7 Shift Relative Order (SRO) Results: #Consistent: 169 #Suspicious: 0 C Shift Results: #Consistent: 602 #Duplicate: 24 #Unknown: 0 #Suspicious: 1 #Anomalous: 1 H Shift Results: #Consistent: 886 #Duplicate: 29 #Unknown: 0 #Suspicious: 6 #Anomalous: 0 N Shift Results: #Consistent: 146 #Duplicate: 7 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: G4 C = 174.115(D), Expected = 174.04, Std = 1.9400, ChiSquare = 9.6916e-01 G4 CA = 45.41(D), Expected = 45.33, Std = 1.4200, ChiSquare = 9.5507e-01 G4 H = 8.305(D), Expected = 8.34, Std = 0.7400, ChiSquare = 9.6228e-01 G4 HA2 = 3.957(D), Expected = 3.95, Std = 0.4000, ChiSquare = 9.8604e-01 G4 HA3 = 3.957(D), Expected = 3.93, Std = 0.4000, ChiSquare = 9.4618e-01 G4 N = 109.843(D), Expected = 109.91, Std = 4.2900, ChiSquare = 9.8754e-01 S5 C = 174.376(D), Expected = 174.53, Std = 1.7300, ChiSquare = 9.2907e-01 S5 CA = 58.255(D), Expected = 58.57, Std = 2.1200, ChiSquare = 8.8188e-01 S5 CB = 64.046(D), Expected = 63.80, Std = 1.5700, ChiSquare = 8.7549e-01 S5 H = 8.187(D), Expected = 8.29, Std = 0.6200, ChiSquare = 8.6806e-01 S5 HA = 4.418(D), Expected = 4.51, Std = 0.4300, ChiSquare = 8.3058e-01 S5 HB2 = 3.801(D), Expected = 3.88, Std = 0.2900, ChiSquare = 7.8530e-01 S5 HB3 = 3.814(D), Expected = 3.87, Std = 0.3100, ChiSquare = 8.5665e-01 S5 N = 115.561(D), Expected = 116.30, Std = 3.9500, ChiSquare = 8.5159e-01 D6 C = 175.873(D), Expected = 176.41, Std = 1.7700, ChiSquare = 7.6159e-01 D6 CA = 54.702(D), Expected = 54.52, Std = 2.1000, ChiSquare = 9.3094e-01 D6 CB = 41.027(D), Expected = 40.70, Std = 1.6700, ChiSquare = 8.4476e-01 D6 H = 8.43(D), Expected = 8.33, Std = 0.5700, ChiSquare = 8.6074e-01 D6 HA = 4.521(D), Expected = 4.61, Std = 0.3100, ChiSquare = 7.7404e-01 D6 HB2 = 2.552(D), Expected = 2.74, Std = 0.2900, ChiSquare = 5.1681e-01 D6 HB3 = 2.556(D), Expected = 2.70, Std = 0.2900, ChiSquare = 6.1951e-01 D6 N = 121.858(D), Expected = 120.73, Std = 4.2000, ChiSquare = 7.8826e-01 H7 C = 174.396(D), Expected = 175.19, Std = 2.1400, ChiSquare = 7.1062e-01 H7 CA = 55.329(D), Expected = 56.37, Std = 2.4000, ChiSquare = 6.6447e-01 H7 CB = 29.435(D), Expected = 29.95, Std = 2.1500, ChiSquare = 8.1069e-01 H7 H = 8.305(D), Expected = 8.25, Std = 0.7400, ChiSquare = 9.4075e-01 H7 HA = 4.628(D), Expected = 4.62, Std = 0.5100, ChiSquare = 9.8748e-01 H7 HB2 = 3.063(D), Expected = 3.12, Std = 0.4300, ChiSquare = 8.9454e-01 H7 HB3 = 3.199(D), Expected = 3.11, Std = 0.4500, ChiSquare = 8.4322e-01 H7 N = 118.354(D), Expected = 119.44, Std = 4.5200, ChiSquare = 8.1012e-01 D18 C = 174.112(D), Expected = 176.41, Std = 1.7700, ChiSquare = 1.9418e-01 D18 CA = 53.304(D), Expected = 54.52, Std = 2.1000, ChiSquare = 5.6256e-01 D18 CB = 43.032(D), Expected = 40.70, Std = 1.6700, ChiSquare = 1.6259e-01 D18 H = 8.423(D), Expected = 8.33, Std = 0.5700, ChiSquare = 8.7039e-01 D18 HA = 5.287(D), Expected = 4.61, Std = 0.3100, ChiSquare = 2.8972e-02 D18 HB2 = 2.113(D), Expected = 2.74, Std = 0.2900, ChiSquare = 3.0613e-02 D18 HB3 = 2.415(D), Expected = 2.70, Std = 0.2900, ChiSquare = 3.2573e-01 D18 N = 122.634(D), Expected = 120.73, Std = 4.2000, ChiSquare = 6.5031e-01 T30 C = 174.772(D), Expected = 174.60, Std = 1.8000, ChiSquare = 9.2387e-01 T30 CA = 61.304(D), Expected = 62.15, Std = 2.7200, ChiSquare = 7.5578e-01 T30 CB = 70.661(D), Expected = 69.64, Std = 1.7000, ChiSquare = 5.4811e-01 T30 CG2 = 21.872(D), Expected = 21.44, Std = 1.3900, ChiSquare = 7.5596e-01 T30 H = 8.652(D), Expected = 8.27, Std = 0.6200, ChiSquare = 5.3781e-01 T30 HA = 5.621(D), Expected = 4.48, Std = 0.5000, ChiSquare = 2.2489e-02 T30 HB = 3.912(D), Expected = 4.17, Std = 0.3700, ChiSquare = 4.8562e-01 T30 HG2 = 1.049(D), Expected = 1.16, Std = 0.2800, ChiSquare = 6.9179e-01 T30 N = 121.579(D), Expected = 115.70, Std = 5.0500, ChiSquare = 2.4436e-01 L35 C = 174.099(D), Expected = 176.97, Std = 2.0900, ChiSquare = 1.6954e-01 L35 CA = 52.966(D), Expected = 55.65, Std = 2.2100, ChiSquare = 2.2456e-01 L35 CB = 43.406(D), Expected = 42.37, Std = 1.8600, ChiSquare = 5.7753e-01 L35 CG = 26.514(D), Expected = 26.77, Std = 1.2500, ChiSquare = 8.3773e-01 L35 CD1 = 25.002(D), Expected = 24.73, Std = 1.7100, ChiSquare = 8.7362e-01 L35 CD2 = 24.995(D), Expected = 24.10, Std = 1.7800, ChiSquare = 6.1510e-01 L35 H = 8.741(D), Expected = 8.22, Std = 0.6500, ChiSquare = 4.2282e-01 L35 HA = 4.619(D), Expected = 4.32, Std = 0.4700, ChiSquare = 5.2467e-01 L35 HB2 = 1.513(D), Expected = 1.63, Std = 0.3400, ChiSquare = 7.3076e-01 L35 HB3 = 1.513(D), Expected = 1.57, Std = 0.3600, ChiSquare = 8.7419e-01 L35 HG = 1.112(D), Expected = 1.54, Std = 0.3300, ChiSquare = 1.9464e-01 L35 HD1 = -0.271(S), Expected = 0.77, Std = 0.2700, ChiSquare = 1.1547e-04 L35 HD2 = 0.272(D), Expected = 0.76, Std = 0.2800, ChiSquare = 8.1359e-02 L35 N = 123.123(D), Expected = 121.98, Std = 4.0700, ChiSquare = 7.7884e-01 K46 HD2 = 0.728(S), Expected = 1.61, Std = 0.2500, ChiSquare = 4.1871e-04 K46 HD3 = 0.407(S), Expected = 1.61, Std = 0.2500, ChiSquare = 1.4943e-06 K46 HE2 = 1.817(S), Expected = 2.93, Std = 0.2000, ChiSquare = 2.6215e-08 K46 HE3 = 1.56(S), Expected = 2.93, Std = 0.2000, ChiSquare = 7.3850e-12 T50 HG2 = 0.125(S), Expected = 1.16, Std = 0.2800, ChiSquare = 2.1865e-04 L76 CD2 = 28.874(M), Expected = 24.10, Std = 1.7800, ChiSquare = 7.3179e-03 K10 CE = 45.425(S), Expected = 41.78, Std = 0.9800, ChiSquare = 1.9971e-04