G1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.79 L 0.08 C 0.08 R 0.02 C Shift Assignments>> CA :: 45.422 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> HA2 :: 4.013 HA3 :: 4.013 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) I2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> I 0.7 C 0.29 C Shift Assignments>> CA :: 61.119 CB :: 39.191 CG1 :: 27.239 CG2 :: 17.643 CD1 :: 13.215 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>> HA :: 4.301 HB :: 1.902 HG2 :: 0.957 HG12 :: 1.504 HG13 :: 1.236 HD1 :: 0.926 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) D3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> D 0.34 L 0.2 N 0.15 C 0.12 K 0.08 F 0.04 R 0.04 C Shift Assignments>> CA :: 52.203 CB :: 41.614 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>> HA :: 4.966 HB2 :: 2.642 HB3 :: 2.820 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) P4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.85 C 0.14 C Shift Assignments>> C :: 176.783 CA :: 63.786 CB :: 32.050 CG :: 26.989 CD :: 50.920 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 :: 4.418 HB2 :: 1.703 HB3 :: 2.230 HG2 :: 1.985 HG3 :: 1.803 HD2 :: 3.817 HD3 :: 3.931 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) F5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.56 C 0.43 HN Overlap>> S134 C Shift Assignments>> C :: 176.066 CA :: 58.090 CB :: 39.057 CD1 :: 131.806 CD2 :: 131.806 CE1 :: 131.287 CE2 :: 131.287 CZ :: 129.609 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 :: 8.194 HA :: 4.688 HB2 :: 3.172 HB3 :: 3.288 HD1 :: 7.406 HD2 :: 7.406 HE1 :: 7.463 HE2 :: 7.463 HZ :: 7.398 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 :: 117.557 Ave N Shift Values>> N :: 120.69(4.18) T6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.92 C 0.07 C Shift Assignments>> C :: 173.477 CA :: 61.998 CB :: 70.067 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 :: 7.843 HA :: 4.362 HB :: 4.214 HG2 :: 1.263 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 :: 113.995 Ave N Shift Values>> N :: 115.7(5.05) D7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 L 0.23 C 0.12 N 0.1 K 0.09 R 0.07 F 0.03 G 0.01 HN Overlap>> A139 C Shift Assignments>> C :: 175.321 CA :: 52.177 CB :: 42.126 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 :: 8.079 HA :: 4.940 HB2 :: 2.768 HB3 :: 2.929 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 :: 124.792 Ave N Shift Values>> N :: 120.73(4.2) P8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.76 C 0.22 C Shift Assignments>> C :: 178.213 CA :: 64.873 CB :: 32.449 CG :: 27.496 CD :: 51.388 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 :: 4.402 HB2 :: 2.100 HB3 :: 2.454 HG2 :: 2.188 HG3 :: 2.073 HD2 :: 3.883 HD3 :: 4.070 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) T9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.96 C 0.03 C Shift Assignments>> C :: 176.482 CA :: 65.023 CB :: 68.788 CG2 :: 22.614 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 :: 8.535 HA :: 4.211 HB :: 4.285 HG2 :: 1.338 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 :: 112.411 Ave N Shift Values>> N :: 115.7(5.05) V10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.91 C 0.08 C Shift Assignments>> C :: 177.866 CA :: 64.832 CB :: 32.088 CG1 :: 21.241 CG2 :: 22.095 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 :: 7.546 HA :: 3.989 HB :: 2.305 HG1 :: 1.012 HG2 :: 1.101 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 :: 122.731 Ave N Shift Values>> N :: 121.02(4.96) I11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.85 C 0.14 C Shift Assignments>> C :: 177.935 CA :: 63.540 CB :: 38.022 CG1 :: 28.077 CG2 :: 17.768 CD1 :: 12.826 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 :: 7.717 HA :: 4.053 HB :: 2.006 HG2 :: 1.012 HG12 :: 1.577 HG13 :: 1.288 HD1 :: 0.891 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 :: 119.241 Ave N Shift Values>> N :: 121.6(4.72) A12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.59 A 0.31 I 0.05 C 0.03 C Shift Assignments>> C :: 178.768 CA :: 55.409 CB :: 17.940 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.028 HA :: 4.004 HB :: 1.454 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.258 Ave N Shift Values>> N :: 123.23(3.7) E13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.31 I 0.23 K 0.06 Q 0.02 M 0.02 HN Overlap>> S64 C Shift Assignments>> C :: 178.353 CA :: 59.931 CB :: 29.558 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 :: 8.182 HA :: 4.084 HB2 :: 2.245 HB3 :: 2.245 HG2 :: 2.414 HG3 :: 2.414 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 :: 118.071 Ave N Shift Values>> N :: 120.68(3.68) N14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 F 0.21 N 0.14 D 0.11 E 0.1 I 0.05 L 0.03 M 0.02 C Shift Assignments>> C :: 179.066 CA :: 56.124 CB :: 38.350 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 :: 8.265 HA :: 4.562 HB2 :: 2.901 HB3 :: 3.045 HD21 :: 6.920 HD22 :: 7.633 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 :: 117.450 ND2 :: 111.863 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) E15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.35 C 0.34 I 0.2 K 0.05 M 0.03 Q 0.01 HN Overlap>> A104 C Shift Assignments>> C :: 180.051 CA :: 59.038 CB :: 29.763 CG :: 36.720 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 :: 8.606 HA :: 4.235 HB2 :: 2.191 HB3 :: 2.075 HG2 :: 2.326 HG3 :: 2.476 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 :: 121.382 Ave N Shift Values>> N :: 120.68(3.68) L16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 L 0.41 R 0.07 HN Overlap>> V138 C Shift Assignments>> C :: 179.041 CA :: 58.894 CB :: 41.124 CG :: 28.318 CD1 :: 24.895 CD2 :: 24.205 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 :: 8.557 HA :: 4.042 HB2 :: 2.061 HB3 :: 1.560 HG :: 1.770 HD1 :: 0.843 HD2 :: 0.831 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 :: 122.607 Ave N Shift Values>> N :: 121.98(4.07) L17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.49 C 0.46 R 0.03 C Shift Assignments>> C :: 181.010 CA :: 58.106 CB :: 41.007 CG :: 26.959 CD1 :: 22.754 CD2 :: 25.231 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 :: 8.332 HA :: 4.202 HB2 :: 1.637 HB3 :: 2.005 HG :: 1.954 HD1 :: 0.977 HD2 :: 1.026 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 :: 119.578 Ave N Shift Values>> N :: 121.98(4.07) G18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.75 C 0.17 L 0.04 C Shift Assignments>> C :: 176.864 CA :: 46.977 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.364 HA2 :: 3.988 HA3 :: 4.057 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.043 Ave N Shift Values>> N :: 109.91(4.29) A19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.58 A 0.34 I 0.03 C 0.02 C Shift Assignments>> C :: 179.243 CA :: 54.970 CB :: 17.533 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.124 HA :: 4.343 HB :: 1.552 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 126.400 Ave N Shift Values>> N :: 123.23(3.7) A20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.63 A 0.24 I 0.07 C 0.03 HN Overlap>> A61 A121 L146 C Shift Assignments>> C :: 179.741 CA :: 55.764 CB :: 17.826 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.155 HA :: 4.072 HB :: 1.628 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 119.797 Ave N Shift Values>> N :: 123.23(3.7) A21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.54 A 0.37 I 0.03 C 0.02 C Shift Assignments>> C :: 180.803 CA :: 54.989 CB :: 17.973 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.231 HA :: 4.272 HB :: 1.626 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.594 Ave N Shift Values>> N :: 123.23(3.7) A22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.54 A 0.38 I 0.03 C 0.02 HN Overlap>> L46 L177 C Shift Assignments>> C :: 181.334 CA :: 54.991 CB :: 18.081 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.087 HA :: 4.278 HB :: 1.653 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.917 Ave N Shift Values>> N :: 123.23(3.7) I23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.92 C 0.07 HN Overlap>> K34 K38 L131 C Shift Assignments>> C :: 177.463 CA :: 65.940 CB :: 38.581 CG1 :: 29.901 CG2 :: 18.945 CD1 :: 14.420 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 :: 8.169 HA :: 3.733 HB :: 2.050 HG2 :: 1.105 HG12 :: 2.063 HG13 :: 1.007 HD1 :: 0.846 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 :: 121.645 Ave N Shift Values>> N :: 121.6(4.72) E24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.31 I 0.27 K 0.04 M 0.01 HN Overlap>> L91 E116 C Shift Assignments>> C :: 179.389 CA :: 59.584 CB :: 29.314 CG :: 36.805 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 :: 8.350 HA :: 4.081 HB2 :: 2.184 HB3 :: 2.184 HG2 :: 2.329 HG3 :: 2.563 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 :: 119.790 Ave N Shift Values>> N :: 120.68(3.68) A25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.56 A 0.36 I 0.03 C 0.02 C Shift Assignments>> C :: 180.628 CA :: 54.966 CB :: 17.711 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.146 HA :: 4.210 HB :: 1.597 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.994 Ave N Shift Values>> N :: 123.23(3.7) A26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.56 A 0.35 I 0.03 C 0.02 C Shift Assignments>> C :: 179.951 CA :: 55.105 CB :: 17.903 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.828 HA :: 4.221 HB :: 1.680 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.691 Ave N Shift Values>> N :: 123.23(3.7) A27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.54 A 0.38 I 0.03 C 0.03 C Shift Assignments>> C :: 180.772 CA :: 55.028 CB :: 18.154 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.566 HA :: 3.998 HB :: 1.569 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.168 Ave N Shift Values>> N :: 123.23(3.7) K28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.38 C 0.35 R 0.22 M 0.01 G 0.01 HN Overlap>> D43 I101 K150 C Shift Assignments>> C :: 179.462 CA :: 59.061 CB :: 32.132 CG :: 25.267 CD :: 28.974 CE :: 42.266 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 :: 8.131 HA :: 4.132 HB2 :: 1.971 HB3 :: 2.043 HG2 :: 1.595 HG3 :: 1.595 HD2 :: 1.762 HD3 :: 1.762 HE2 :: 3.040 HE3 :: 3.040 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 :: 118.714 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) K29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.39 C 0.36 R 0.21 M 0.01 G 0.01 HN Overlap>> K183 C Shift Assignments>> C :: 179.332 CA :: 59.227 CB :: 32.139 CG :: 25.518 CD :: 29.139 CE :: 42.204 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 :: 7.628 HA :: 4.135 HB2 :: 2.028 HB3 :: 2.028 HG2 :: 1.522 HG3 :: 1.522 HD2 :: 1.772 HD3 :: 1.772 HE2 :: 3.037 HE3 :: 3.037 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 :: 118.640 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) L30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.48 C 0.35 R 0.13 G 0.01 C Shift Assignments>> C :: 178.817 CA :: 56.783 CB :: 41.988 CG :: 26.959 CD1 :: 23.258 CD2 :: 26.291 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 :: 7.699 HA :: 4.214 HB2 :: 2.109 HB3 :: 1.541 HG :: 1.954 HD1 :: 0.921 HD2 :: 0.958 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 :: 117.325 Ave N Shift Values>> N :: 121.98(4.07) E31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.34 I 0.11 K 0.08 M 0.05 Q 0.04 C Shift Assignments>> C :: 177.272 CA :: 58.273 CB :: 29.959 CG :: 36.242 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 :: 7.759 HA :: 4.116 HB2 :: 2.241 HB3 :: 2.241 HG2 :: 2.505 HG3 :: 2.394 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 :: 117.191 Ave N Shift Values>> N :: 120.68(3.68) Q32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.26 C 0.24 K 0.23 E 0.13 M 0.06 R 0.04 C Shift Assignments>> C :: 176.199 CA :: 55.973 CB :: 29.176 CG :: 34.018 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 :: 7.587 HA :: 4.344 HB2 :: 2.114 HB3 :: 2.343 HG2 :: 2.508 HG3 :: 2.574 HE21 :: 6.883 HE22 :: 7.513 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 :: 115.061 NE2 :: 111.709 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) L33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.56 C 0.26 R 0.1 G 0.05 A 0.01 C Shift Assignments>> C :: 176.262 CA :: 55.304 CB :: 42.914 CG :: 26.785 CD1 :: 25.659 CD2 :: 23.371 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 :: 7.419 HA :: 4.356 HB2 :: 1.510 HB3 :: 1.949 HG :: 1.883 HD1 :: 1.013 HD2 :: 0.946 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 :: 120.253 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 0.48 C 0.33 R 0.12 M 0.03 G 0.02 HN Overlap>> I23 K38 L131 C Shift Assignments>> C :: 173.854 CA :: 53.412 CB :: 33.369 CG :: 24.464 CD :: 29.139 CE :: 42.311 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 :: 8.217 HA :: 4.767 HB2 :: 1.769 HB3 :: 1.884 HG2 :: 1.492 HG3 :: 1.492 HD2 :: 1.772 HD3 :: 1.772 HE2 :: 3.086 HE3 :: 3.086 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 :: 121.684 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) P35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.79 C 0.2 C Shift Assignments>> C :: 176.580 CA :: 63.028 CB :: 32.291 CG :: 27.597 CD :: 50.670 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 :: 4.507 HB2 :: 2.029 HB3 :: 2.344 HG2 :: 1.945 HG3 :: 2.136 HD2 :: 3.753 HD3 :: 3.753 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) R36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.42 C 0.36 K 0.1 G 0.09 C Shift Assignments>> C :: 176.082 CA :: 56.287 CB :: 31.109 CG :: 27.355 CD :: 43.618 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 :: 8.588 HA :: 4.361 HB2 :: 1.916 HB3 :: 1.916 HG2 :: 1.785 HG3 :: 1.785 HD2 :: 3.307 HD3 :: 3.307 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 :: 121.503 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) A37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.74 M 0.21 C 0.02 L 0.01 C Shift Assignments>> C :: 177.283 CA :: 52.660 CB :: 19.436 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.353 HA :: 4.381 HB :: 1.454 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.415 Ave N Shift Values>> N :: 123.23(3.7) K38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.45 C 0.32 R 0.15 M 0.04 G 0.01 HN Overlap>> I23 K34 L131 C Shift Assignments>> C :: 174.543 CA :: 54.158 CB :: 32.889 CG :: 24.527 CD :: 29.232 CE :: 42.235 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 :: 8.236 HA :: 4.705 HB2 :: 1.792 HB3 :: 1.911 HG2 :: 1.546 HG3 :: 1.546 HD2 :: 1.782 HD3 :: 1.782 HE2 :: 3.099 HE3 :: 3.099 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 :: 121.641 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) P39 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 :: 177.002 CA :: 63.390 CB :: 32.203 CG :: 27.579 CD :: 50.737 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 :: 4.501 HB2 :: 2.024 HB3 :: 2.408 HG2 :: 2.136 HG3 :: 2.136 HD2 :: 3.721 HD3 :: 3.892 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) K40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.39 C 0.38 R 0.18 M 0.03 G 0.01 HN Overlap>> E44 C Shift Assignments>> C :: 176.870 CA :: 57.019 CB :: 32.975 CG :: 24.747 CD :: 29.152 CE :: 42.235 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 :: 8.437 HA :: 4.319 HB2 :: 1.909 HB3 :: 1.909 HG2 :: 1.541 HG3 :: 1.541 HD2 :: 1.780 HD3 :: 1.780 HE2 :: 3.099 HE3 :: 3.099 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 :: 121.106 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) E41 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 I 0.05 Q 0.04 C Shift Assignments>> C :: 176.436 CA :: 56.735 CB :: 30.149 CG :: 36.313 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 :: 8.524 HA :: 4.371 HB2 :: 2.035 HB3 :: 2.198 HG2 :: 2.367 HG3 :: 2.367 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 :: 120.712 Ave N Shift Values>> N :: 120.68(3.68) A42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.7 M 0.24 C 0.02 C Shift Assignments>> C :: 177.401 CA :: 53.067 CB :: 19.321 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.272 HA :: 4.364 HB :: 1.496 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.534 Ave N Shift Values>> N :: 123.23(3.7) D43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.26 L 0.22 K 0.16 C 0.11 F 0.09 N 0.07 R 0.05 HN Overlap>> K28 I101 K150 C Shift Assignments>> C :: 176.588 CA :: 54.607 CB :: 41.411 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 :: 8.201 HA :: 4.647 HB2 :: 2.788 HB3 :: 2.788 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 :: 118.633 Ave N Shift Values>> N :: 120.73(4.2) E44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.35 M 0.08 K 0.08 I 0.07 Q 0.04 HN Overlap>> K40 C Shift Assignments>> C :: 176.977 CA :: 57.370 CB :: 30.135 CG :: 36.313 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 :: 8.408 HA :: 4.345 HB2 :: 2.081 HB3 :: 2.198 HG2 :: 2.367 HG3 :: 2.367 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 :: 121.153 Ave N Shift Values>> N :: 120.68(3.68) S45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.724 CA :: 59.425 CB :: 63.805 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.389 HA :: 4.429 HB2 :: 3.976 HB3 :: 3.976 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 :: 116.579 Ave N Shift Values>> N :: 116.3(3.95) L46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.57 C 0.28 R 0.1 G 0.02 A 0.01 HN Overlap>> A22 L177 C Shift Assignments>> C :: 177.423 CA :: 55.389 CB :: 42.518 CG :: 27.161 CD1 :: 25.194 CD2 :: 23.770 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 :: 8.071 HA :: 4.435 HB2 :: 1.700 HB3 :: 1.700 HG :: 1.708 HD1 :: 0.982 HD2 :: 0.919 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 :: 122.869 Ave N Shift Values>> N :: 121.98(4.07) N47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.48 C 0.19 D 0.17 F 0.07 L 0.03 E 0.02 C Shift Assignments>> C :: 176.093 CA :: 53.346 CB :: 38.514 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 :: 8.571 HA :: 4.792 HB2 :: 3.020 HB3 :: 3.050 HD21 :: 6.938 HD22 :: 7.680 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 :: 120.584 ND2 :: 111.667 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) F48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.69 C 0.3 C Shift Assignments>> C :: 176.740 CA :: 61.087 CB :: 39.243 CD1 :: 131.935 CD2 :: 131.935 CE1 :: 131.001 CE2 :: 131.001 CZ :: 129.086 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 :: 8.389 HA :: 4.400 HB2 :: 3.109 HB3 :: 3.326 HD1 :: 7.321 HD2 :: 7.321 HE1 :: 7.337 HE2 :: 7.337 HZ :: 7.183 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 :: 120.940 Ave N Shift Values>> N :: 120.69(4.18) E49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.58 C 0.28 E 0.12 C Shift Assignments>> C :: 178.327 CA :: 61.398 CB :: 28.909 CG :: 37.563 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 :: 8.969 HA :: 3.652 HB2 :: 1.958 HB3 :: 1.958 HG2 :: 2.603 HG3 :: 2.384 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 :: 119.424 Ave N Shift Values>> N :: 120.68(3.68) E50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 E 0.33 I 0.25 K 0.03 M 0.02 HN Overlap>> V67 C Shift Assignments>> C :: 179.056 CA :: 59.715 CB :: 29.992 CG :: 36.829 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 :: 8.265 HA :: 4.019 HB2 :: 2.161 HB3 :: 2.264 HG2 :: 2.344 HG3 :: 2.504 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 :: 117.969 Ave N Shift Values>> N :: 120.68(3.68) Q51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 E 0.19 K 0.18 Q 0.18 I 0.08 R 0.02 M 0.01 C Shift Assignments>> C :: 179.948 CA :: 59.487 CB :: 28.819 CG :: 34.625 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 :: 8.215 HA :: 4.101 HB2 :: 2.320 HB3 :: 2.143 HG2 :: 2.603 HG3 :: 2.431 HE21 :: 7.301 HE22 :: 6.843 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 :: 118.454 NE2 :: 111.659 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) I52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.83 C 0.15 HN Overlap>> K68 C Shift Assignments>> C :: 177.179 CA :: 63.830 CB :: 36.724 CG1 :: 28.576 CG2 :: 17.881 CD1 :: 12.269 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 :: 8.314 HA :: 3.678 HB :: 1.931 HG2 :: 0.826 HG12 :: 0.988 HG13 :: 1.295 HD1 :: 0.668 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 :: 120.333 Ave N Shift Values>> N :: 121.6(4.72) L53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.52 C 0.37 R 0.08 C Shift Assignments>> C :: 178.790 CA :: 58.586 CB :: 41.823 CG :: 27.355 CD1 :: 24.597 CD2 :: 25.023 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 :: 8.098 HA :: 4.014 HB2 :: 1.768 HB3 :: 1.908 HG :: 1.785 HD1 :: 1.044 HD2 :: 1.001 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 :: 120.875 Ave N Shift Values>> N :: 121.98(4.07) E54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.32 I 0.2 K 0.08 Q 0.03 M 0.02 C Shift Assignments>> C :: 179.768 CA :: 59.479 CB :: 29.303 CG :: 36.181 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 :: 8.422 HA :: 4.072 HB2 :: 2.160 HB3 :: 2.160 HG2 :: 2.453 HG3 :: 2.453 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 :: 117.645 Ave N Shift Values>> N :: 120.68(3.68) A55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.55 A 0.37 I 0.03 C 0.02 HN Overlap>> A165 E188 C Shift Assignments>> C :: 180.355 CA :: 55.067 CB :: 18.052 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.133 HA :: 4.359 HB :: 1.606 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.835 Ave N Shift Values>> N :: 123.23(3.7) A56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.58 A 0.32 I 0.04 C 0.03 C Shift Assignments>> C :: 179.081 CA :: 55.375 CB :: 18.025 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.884 HA :: 4.046 HB :: 1.474 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.856 Ave N Shift Values>> N :: 123.23(3.7) K57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 R 0.31 K 0.24 G 0.01 C Shift Assignments>> C :: 180.038 CA :: 60.760 CB :: 32.232 CG :: 26.589 CD :: 29.980 CE :: 42.084 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 :: 8.553 HA :: 3.898 HB2 :: 2.033 HB3 :: 2.033 HG2 :: 1.550 HG3 :: 1.550 HD2 :: 1.754 HD3 :: 1.754 HE2 :: 2.876 HE3 :: 2.876 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 :: 117.953 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) S58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 180.061 CA :: 62.186 CB :: 62.975 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.204 HA :: 4.412 HB2 :: 4.250 HB3 :: 4.091 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 :: 116.115 Ave N Shift Values>> N :: 116.3(3.95) I59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.84 C 0.13 V 0.01 C Shift Assignments>> C :: 177.505 CA :: 66.090 CB :: 37.970 CG1 :: 30.987 CG2 :: 18.813 CD1 :: 15.638 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 :: 8.485 HA :: 3.701 HB :: 2.116 HG2 :: 1.037 HG12 :: 0.971 HG13 :: 2.066 HD1 :: 0.969 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 :: 123.138 Ave N Shift Values>> N :: 121.6(4.72) A60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.61 A 0.3 I 0.04 C 0.02 HN Overlap>> A117 C Shift Assignments>> C :: 178.923 CA :: 55.156 CB :: 17.403 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.357 HA :: 4.132 HB :: 1.390 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.334 Ave N Shift Values>> N :: 123.23(3.7) A61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.56 A 0.36 I 0.03 C 0.02 HN Overlap>> A20 A121 V178 C Shift Assignments>> C :: 180.770 CA :: 55.065 CB :: 17.949 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.154 HA :: 4.204 HB :: 1.602 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 119.692 Ave N Shift Values>> N :: 123.23(3.7) A62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.51 A 0.41 C 0.03 I 0.02 HN Overlap>> D92 A148 C Shift Assignments>> C :: 180.469 CA :: 54.938 CB :: 18.329 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.098 HA :: 4.400 HB :: 1.604 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.273 Ave N Shift Values>> N :: 123.23(3.7) T63 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 :: 177.552 CA :: 65.960 CB :: 68.420 CG2 :: 24.096 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 :: 9.273 HA :: 4.009 HB :: 4.131 HG2 :: 1.285 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 :: 113.232 Ave N Shift Values>> N :: 115.7(5.05) S64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> E13 R172 C Shift Assignments>> C :: 176.596 CA :: 62.410 CB :: 62.679 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.154 HA :: 4.173 HB2 :: 4.137 HB3 :: 4.137 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 :: 117.991 Ave N Shift Values>> N :: 116.3(3.95) A65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.59 A 0.32 I 0.04 C 0.02 C Shift Assignments>> C :: 180.775 CA :: 55.221 CB :: 17.683 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.647 HA :: 4.148 HB :: 1.641 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.344 Ave N Shift Values>> N :: 123.23(3.7) L66 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.43 C 0.39 K 0.09 L 0.05 G 0.02 C Shift Assignments>> C :: 177.867 CA :: 58.608 CB :: 42.587 CG :: 26.708 CD1 :: 25.227 CD2 :: 28.922(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 :: 8.395 HA :: 3.992 HB2 :: 2.371 HB3 :: 1.660 HG :: 1.636 HD1 :: 1.015 HD2 :: 1.142 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 :: 120.493 Ave N Shift Values>> N :: 121.98(4.07) V67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.94 C 0.05 HN Overlap>> E50 C Shift Assignments>> C :: 178.481 CA :: 67.426 CB :: 31.441 CG1 :: 23.133 CG2 :: 23.439 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 :: 8.301 HA :: 3.651 HB :: 2.219 HG1 :: 1.106 HG2 :: 1.100 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 :: 117.866 Ave N Shift Values>> N :: 121.02(4.96) K68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 R 0.29 K 0.28 G 0.01 HN Overlap>> I52 C Shift Assignments>> C :: 180.053 CA :: 60.686 CB :: 32.281 CG :: 26.458 CD :: 29.560 CE :: 42.180 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 :: 8.371 HA :: 4.069 HB2 :: 1.959 HB3 :: 1.959 HG2 :: 1.751 HG3 :: 1.412 HD2 :: 1.745 HD3 :: 1.745 HE2 :: 2.970 HE3 :: 2.970 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 :: 120.379 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) A69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.62 A 0.3 I 0.04 C 0.02 C Shift Assignments>> C :: 180.265 CA :: 55.109 CB :: 17.308 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.464 HA :: 4.342 HB :: 1.617 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.696 Ave N Shift Values>> N :: 123.23(3.7) A70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.55 A 0.36 I 0.03 C 0.02 C Shift Assignments>> C :: 178.860 CA :: 55.053 CB :: 17.975 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.700 HA :: 4.248 HB :: 1.591 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.461 Ave N Shift Values>> N :: 123.23(3.7) S71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 178.880 CA :: 61.818 CB :: 62.797 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.256 HA :: 4.267 HB2 :: 4.097 HB3 :: 4.154 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 :: 113.775 Ave N Shift Values>> N :: 116.3(3.95) A72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.55 A 0.37 I 0.03 C 0.02 HN Overlap>> A143 A169 C Shift Assignments>> C :: 180.226 CA :: 55.050 CB :: 17.998 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.895 HA :: 4.269 HB :: 1.651 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.566 Ave N Shift Values>> N :: 123.23(3.7) A73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.56 A 0.36 I 0.03 C 0.02 C Shift Assignments>> C :: 179.339 CA :: 55.002 CB :: 17.780 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.384 HA :: 4.145 HB :: 1.568 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.475 Ave N Shift Values>> N :: 123.23(3.7) Q74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 Q 0.15 K 0.14 R 0.08 P 0.08 I 0.07 E 0.05 HN Overlap>> I132 K136 C Shift Assignments>> C :: 177.450 CA :: 60.225 CB :: 27.176 CG :: 33.827 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 :: 8.448 HA :: 4.179 HB2 :: 2.495 HB3 :: 2.129 HG2 :: 2.458 HG3 :: 2.458 HE21 :: 7.263 HE22 :: 6.405 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 :: 118.377 NE2 :: 106.335 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) R75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.44 C 0.37 G 0.11 K 0.06 HN Overlap>> R172 C Shift Assignments>> C :: 179.220 CA :: 59.310 CB :: 30.081 CG :: 27.720 CD :: 43.590 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 :: 8.090 HA :: 4.064 HB2 :: 2.020 HB3 :: 2.071 HG2 :: 1.971 HG3 :: 1.797 HD2 :: 3.321 HD3 :: 3.321 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 :: 117.867 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) E76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 E 0.34 I 0.21 K 0.04 M 0.03 Q 0.01 HN Overlap>> A120 C Shift Assignments>> C :: 178.378 CA :: 59.289 CB :: 29.901 CG :: 36.807 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 :: 7.992 HA :: 4.245 HB2 :: 2.240 HB3 :: 2.240 HG2 :: 2.485 HG3 :: 2.329 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 :: 119.964 Ave N Shift Values>> N :: 120.68(3.68) L77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.45 C 0.36 R 0.15 G 0.01 C Shift Assignments>> C :: 179.841 CA :: 57.894 CB :: 42.167 CG :: 27.059 CD1 :: 23.724 CD2 :: 26.195 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 :: 8.043 HA :: 4.135 HB2 :: 1.346 HB3 :: 1.346 HG :: 1.959 HD1 :: 0.833 HD2 :: 0.822 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 :: 119.265 Ave N Shift Values>> N :: 121.98(4.07) V78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.93 C 0.06 C Shift Assignments>> C :: 179.580 CA :: 65.531 CB :: 32.172 CG1 :: 22.639 CG2 :: 21.376 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 :: 8.123 HA :: 4.027 HB :: 2.265 HG1 :: 1.153 HG2 :: 1.079 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 :: 119.466 Ave N Shift Values>> N :: 121.02(4.96) A79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.52 A 0.39 I 0.03 C 0.03 C Shift Assignments>> C :: 179.816 CA :: 55.014 CB :: 18.280 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.347 HA :: 4.267 HB :: 1.644 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.456 Ave N Shift Values>> N :: 123.23(3.7) Q80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.24 Q 0.24 K 0.21 E 0.17 M 0.07 R 0.03 I 0.01 C Shift Assignments>> C :: 177.150 CA :: 56.627 CB :: 29.397 CG :: 34.282 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 :: 8.112 HA :: 4.379 HB2 :: 2.162 HB3 :: 2.329 HG2 :: 2.726 HG3 :: 2.550 HE21 :: 6.842 HE22 :: 7.441 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 :: 114.864 NE2 :: 110.397 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) G81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 C 0.11 L 0.06 C Shift Assignments>> C :: 175.184 CA :: 46.165 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.159 HA2 :: 4.022 HA3 :: 4.109 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.032 Ave N Shift Values>> N :: 109.91(4.29) K82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.38 C 0.38 R 0.18 M 0.03 G 0.01 C Shift Assignments>> C :: 176.669 CA :: 57.095 CB :: 32.975 CG :: 24.747 CD :: 29.152 CE :: 42.311 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 :: 8.230 HA :: 4.323 HB2 :: 1.909 HB3 :: 1.909 HG2 :: 1.541 HG3 :: 1.541 HD2 :: 1.780 HD3 :: 1.780 HE2 :: 3.086 HE3 :: 3.086 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 :: 119.057 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) V83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.65 C 0.33 C Shift Assignments>> C :: 176.037 CA :: 61.567 CB :: 34.303 CG1 :: 21.425 CG2 :: 20.979 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 :: 7.440 HA :: 4.282 HB :: 1.933 HG1 :: 0.886 HG2 :: 0.816 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 :: 115.853 Ave N Shift Values>> N :: 121.02(4.96) G84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 C 0.09 L 0.07 R 0.01 C Shift Assignments>> C :: 173.772 CA :: 45.808 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.723 HA2 :: 4.106 HA3 :: 3.959 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.791 Ave N Shift Values>> N :: 109.91(4.29) A85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.69 M 0.21 C 0.04 L 0.03 HN Overlap>> L114 C Shift Assignments>> C :: 177.402 CA :: 52.715 CB :: 20.283 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.311 HA :: 4.529 HB :: 1.472 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.533 Ave N Shift Values>> N :: 123.23(3.7) I86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.54 C 0.43 A 0.01 C Shift Assignments>> C :: 175.557 CA :: 58.338 CB :: 39.335 CG1 :: 26.968 CG2 :: 17.518 CD1 :: 12.756 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 :: 7.935 HA :: 4.626 HB :: 1.965 HG2 :: 0.999 HG12 :: 1.212 HG13 :: 1.586 HD1 :: 0.940 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 :: 119.563 Ave N Shift Values>> N :: 121.6(4.72) P87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.8 C 0.19 C Shift Assignments>> C :: 178.077 CA :: 64.873 CB :: 32.162 CG :: 27.496 CD :: 51.242 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 :: 4.402 HB2 :: 2.065 HB3 :: 2.452 HG2 :: 2.188 HG3 :: 2.073 HD2 :: 4.036 HD3 :: 4.116 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) A88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.58 M 0.36 C 0.02 HN Overlap>> Q137 C Shift Assignments>> C :: 178.107 CA :: 53.988 CB :: 18.826 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.339 HA :: 4.306 HB :: 1.490 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.828 Ave N Shift Values>> N :: 123.23(3.7) N89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.51 D 0.19 C 0.17 F 0.06 L 0.03 E 0.01 C Shift Assignments>> C :: 175.279 CA :: 52.788 CB :: 38.715 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 :: 8.112 HA :: 4.980 HB2 :: 2.827 HB3 :: 3.163 HD21 :: 7.707 HD22 :: 6.929 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 :: 115.600 ND2 :: 111.281 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) A90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.47 A 0.42 C 0.04 I 0.01 V 0.01 L 0.01 C Shift Assignments>> C :: 179.352 CA :: 54.993 CB :: 19.244 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.942 HA :: 4.316 HB :: 1.570 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.421 Ave N Shift Values>> N :: 123.23(3.7) L91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.57 C 0.34 R 0.06 HN Overlap>> E24 E116 V178 C Shift Assignments>> C :: 178.549 CA :: 56.982 CB :: 41.756 CG :: 27.248 CD1 :: 24.891 CD2 :: 24.003 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 :: 8.337 HA :: 4.372 HB2 :: 1.748 HB3 :: 1.802 HG :: 1.743 HD1 :: 1.018 HD2 :: 0.957 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 :: 119.697 Ave N Shift Values>> N :: 121.98(4.07) D92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.21 L 0.21 D 0.17 F 0.15 C 0.13 R 0.06 N 0.03 I 0.01 HN Overlap>> A62 C Shift Assignments>> C :: 177.995 CA :: 56.165 CB :: 41.323 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 :: 8.146 HA :: 4.630 HB2 :: 2.810 HB3 :: 2.810 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 :: 121.181 Ave N Shift Values>> N :: 120.73(4.2) D93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.23 C 0.17 L 0.16 D 0.16 K 0.15 I 0.03 N 0.03 R 0.02 C Shift Assignments>> C :: 178.889 CA :: 56.783 CB :: 40.709 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 :: 8.817 HA :: 4.700 HB2 :: 2.792 HB3 :: 2.924 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 :: 121.662 Ave N Shift Values>> N :: 120.73(4.2) G94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.73 C 0.19 L 0.03 A 0.01 C Shift Assignments>> C :: 176.024 CA :: 47.127 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.677 HA2 :: 4.038 HA3 :: 4.203 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.300 Ave N Shift Values>> N :: 109.91(4.29) Q95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 Q 0.22 K 0.22 E 0.15 R 0.04 I 0.04 M 0.02 HN Overlap>> V107 C Shift Assignments>> C :: 179.026 CA :: 58.755 CB :: 28.644 CG :: 34.292 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 :: 8.385 HA :: 4.249 HB2 :: 2.326 HB3 :: 2.326 HG2 :: 2.632 HG3 :: 2.514 HE21 :: 7.576 HE22 :: 6.883 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 :: 121.740 NE2 :: 111.692 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) W96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.68 C 0.3 C Shift Assignments>> C :: 178.752 CA :: 61.448 CB :: 27.935 CD1 :: 127.244 CE3 :: 120.621 CZ2 :: 113.929 CZ3 :: 121.560 CH2 :: 124.036 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 :: 8.674 HA :: 4.441 HB2 :: 3.516 HB3 :: 3.615 HD1 :: 7.467 HE1 :: 10.364 HE3 :: 7.723 HZ2 :: 7.468 HZ3 :: 7.141 HH2 :: 7.067 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 :: 122.549 NE1 :: 129.738 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) S97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.955 CA :: 62.808 CB :: 62.288 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.525 HA :: 3.803 HB2 :: 3.606 HB3 :: 3.606 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 :: 115.972 Ave N Shift Values>> N :: 116.3(3.95) Q98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 Q 0.22 K 0.21 E 0.13 R 0.05 I 0.04 M 0.01 HN Overlap>> R162 C Shift Assignments>> C :: 178.936 CA :: 58.993 CB :: 28.228 CG :: 34.179 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 :: 8.246 HA :: 4.036 HB2 :: 2.223 HB3 :: 2.223 HG2 :: 2.499 HG3 :: 2.499 HE21 :: 6.778 HE22 :: 7.416 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 :: 120.192 NE2 :: 110.524 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) G99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.76 C 0.17 L 0.04 C Shift Assignments>> C :: 176.470 CA :: 46.965 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.135 HA2 :: 3.934 HA3 :: 4.038 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.331 Ave N Shift Values>> N :: 109.91(4.29) L100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.53 C 0.35 R 0.09 G 0.01 C Shift Assignments>> C :: 178.021 CA :: 58.329 CB :: 42.034 CG :: 27.094 CD1 :: 24.782 CD2 :: 25.338 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 :: 7.626 HA :: 3.826 HB2 :: 1.129 HB3 :: 1.493 HG :: 1.332 HD1 :: 0.582 HD2 :: 0.652 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 :: 124.213 Ave N Shift Values>> N :: 121.98(4.07) I101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.94 C 0.05 HN Overlap>> K28 D43 K150 C Shift Assignments>> C :: 178.082 CA :: 65.947 CB :: 38.357 CG1 :: 29.341 CG2 :: 17.018 CD1 :: 14.013 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 :: 8.112 HA :: 3.428 HB :: 1.901 HG2 :: 0.877 HG12 :: 0.898 HG13 :: 0.857 HD1 :: 0.850 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 :: 118.615 Ave N Shift Values>> N :: 121.6(4.72) S102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.210 CA :: 61.956 CB :: 62.781 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.378 HA :: 4.149 HB2 :: 4.025 HB3 :: 4.025 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 :: 113.963 Ave N Shift Values>> N :: 116.3(3.95) A103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.56 A 0.35 I 0.03 C 0.02 C Shift Assignments>> C :: 179.663 CA :: 55.050 CB :: 17.837 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.960 HA :: 4.269 HB :: 1.486 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.458 Ave N Shift Values>> N :: 123.23(3.7) A104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.61 A 0.26 I 0.06 C 0.03 V 0.01 HN Overlap>> E15 C Shift Assignments>> C :: 179.420 CA :: 55.849 CB :: 18.229 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.664 HA :: 3.914 HB :: 1.476 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.342 Ave N Shift Values>> N :: 123.23(3.7) R105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.37 C 0.37 G 0.21 K 0.02 C Shift Assignments>> C :: 180.120 CA :: 60.004 CB :: 30.149 CG :: 27.969 CD :: 44.032 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 :: 8.509 HA :: 4.068 HB2 :: 2.055 HB3 :: 2.055 HG2 :: 1.719 HG3 :: 1.719 HD2 :: 3.202 HD3 :: 3.160 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 :: 116.842 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) M106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 M 0.47 HN Overlap>> R162 C Shift Assignments>> C :: 179.240 CA :: 58.760 CB :: 32.234 CG :: 32.527 CE :: 17.144 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 :: 8.106 HA :: 4.440 HB2 :: 2.451 HB3 :: 2.293 HG2 :: 2.755 HG3 :: 2.874 HE :: 2.156 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 :: 120.107 Ave N Shift Values>> N :: 120.1(3.88) V107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.94 C 0.05 HN Overlap>> Q95 C Shift Assignments>> C :: 179.643 CA :: 66.467 CB :: 31.579 CG1 :: 23.162 CG2 :: 22.195 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 :: 8.430 HA :: 3.962 HB :: 2.289 HG1 :: 1.063 HG2 :: 0.929 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 :: 121.750 Ave N Shift Values>> N :: 121.02(4.96) A108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.64 A 0.24 I 0.07 C 0.03 C Shift Assignments>> C :: 179.432 CA :: 55.834 CB :: 17.859 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.371 HA :: 4.052 HB :: 1.643 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.084 Ave N Shift Values>> N :: 123.23(3.7) A109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.55 A 0.36 I 0.03 C 0.02 C Shift Assignments>> C :: 180.432 CA :: 55.067 CB :: 17.956 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.490 HA :: 4.264 HB :: 1.621 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.365 Ave N Shift Values>> N :: 123.23(3.7) A110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.55 A 0.36 I 0.03 C 0.02 C Shift Assignments>> C :: 180.480 CA :: 55.031 CB :: 17.921 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.709 HA :: 4.271 HB :: 1.597 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.589 Ave N Shift Values>> N :: 123.23(3.7) T111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.98 C 0.01 C Shift Assignments>> C :: 176.460 CA :: 67.840 CB :: 68.283 CG2 :: 21.780 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 :: 8.483 HA :: 3.788 HB :: 4.411 HG2 :: 1.365 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 :: 116.209 Ave N Shift Values>> N :: 115.7(5.05) N112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.33 C 0.3 I 0.17 E 0.06 D 0.05 L 0.03 N 0.02 HN Overlap>> V138 C Shift Assignments>> C :: 177.343 CA :: 58.033 CB :: 38.878 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 :: 8.468 HA :: 4.363 HB2 :: 2.939 HB3 :: 2.983 HD21 :: 6.746 HD22 :: 7.493 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 :: 122.711 ND2 :: 111.743 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) N113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 F 0.18 E 0.17 N 0.11 I 0.06 D 0.06 M 0.03 L 0.01 K 0.01 C Shift Assignments>> C :: 178.054 CA :: 56.377 CB :: 37.831 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 :: 8.311 HA :: 4.530 HB2 :: 3.062 HB3 :: 2.965 HD21 :: 6.920 HD22 :: 7.882 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 :: 118.728 ND2 :: 111.797 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) L114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.46 C 0.38 R 0.13 K 0.01 HN Overlap>> A85 C Shift Assignments>> C :: 178.566 CA :: 58.122 CB :: 41.601 CG :: 27.639 CD1 :: 25.853 CD2 :: 25.168 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 :: 8.319 HA :: 4.338 HB2 :: 1.712 HB3 :: 2.282 HG :: 1.797 HD1 :: 1.082 HD2 :: 1.048 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 :: 122.641 Ave N Shift Values>> N :: 121.98(4.07) C115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.52 I 0.4 C 0.04 C Shift Assignments>> C :: 176.983 CA :: 64.890 CB :: 26.729 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.570 HA :: 4.060 HB2 :: 2.997 HB3 :: 3.202 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 :: 118.691 Ave N Shift Values>> N :: 119.95(4.79) E116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.32 I 0.21 K 0.07 Q 0.02 M 0.02 HN Overlap>> E24 L91 V178 C Shift Assignments>> C :: 179.522 CA :: 59.597 CB :: 29.349 CG :: 36.240 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 :: 8.329 HA :: 4.209 HB2 :: 2.212 HB3 :: 2.212 HG2 :: 2.378 HG3 :: 2.513 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 :: 119.737 Ave N Shift Values>> N :: 120.68(3.68) A117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.57 A 0.35 I 0.03 C 0.02 HN Overlap>> A60 C Shift Assignments>> C :: 180.184 CA :: 54.989 CB :: 17.630 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 :: 4.307 HB :: 1.560 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.404 Ave N Shift Values>> N :: 123.23(3.7) A118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.59 A 0.32 I 0.04 C 0.02 C Shift Assignments>> C :: 178.226 CA :: 55.265 CB :: 17.852 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.892 HA :: 3.999 HB :: 1.372 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.023 Ave N Shift Values>> N :: 123.23(3.7) N119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.28 C 0.26 D 0.15 N 0.08 L 0.08 I 0.06 E 0.03 K 0.01 HN Overlap>> V122 C Shift Assignments>> C :: 177.096 CA :: 56.608 CB :: 39.295 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 :: 8.199 HA :: 4.305 HB2 :: 3.017 HB3 :: 2.827 HD21 :: 6.720 HD22 :: 7.642 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 :: 116.627 ND2 :: 111.650 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) A120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.55 A 0.36 I 0.03 C 0.02 HN Overlap>> E76 C Shift Assignments>> C :: 179.999 CA :: 55.095 CB :: 18.024 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.921 HA :: 4.151 HB :: 1.593 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 119.994 Ave N Shift Values>> N :: 123.23(3.7) A121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.54 A 0.37 I 0.03 C 0.03 HN Overlap>> A20 A61 C Shift Assignments>> C :: 180.602 CA :: 55.090 CB :: 18.161 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.103 HA :: 4.169 HB :: 1.650 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 119.748 Ave N Shift Values>> N :: 123.23(3.7) V122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.91 C 0.08 HN Overlap>> N119 C Shift Assignments>> C :: 176.770 CA :: 65.180 CB :: 31.523 CG1 :: 22.031 CG2 :: 22.745 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 :: 8.169 HA :: 3.951 HB :: 2.415 HG1 :: 1.071 HG2 :: 1.183 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 :: 116.594 Ave N Shift Values>> N :: 121.02(4.96) Q123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.25 C 0.24 K 0.22 E 0.16 M 0.07 R 0.03 HN Overlap>> Q144 C Shift Assignments>> C :: 176.107 CA :: 55.965 CB :: 29.340 CG :: 34.280 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 :: 7.692 HA :: 4.440 HB2 :: 2.423 HB3 :: 2.060 HG2 :: 2.632 HG3 :: 2.443 HE21 :: 6.786 HE22 :: 7.332 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 :: 116.643 NE2 :: 111.066 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) G124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.09 L 0.07 R 0.01 C Shift Assignments>> C :: 174.357 CA :: 45.744 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.757 HA2 :: 4.191 HA3 :: 3.989 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.132 Ave N Shift Values>> N :: 109.91(4.29) H125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.43 W 0.34 C 0.22 C Shift Assignments>> C :: 174.117 CA :: 53.932 CB :: 29.346 CD2 :: 120.064 CE1 :: 136.933 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 :: 8.351 HA :: 5.043 HB2 :: 3.346 HB3 :: 3.049 HD2 :: 7.194 HE1 :: 8.513 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 :: 119.223 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) A126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.73 M 0.2 C 0.03 L 0.02 C Shift Assignments>> C :: 177.070 CA :: 52.567 CB :: 19.981 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.486 HA :: 4.379 HB :: 1.505 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.462 Ave N Shift Values>> N :: 123.23(3.7) S127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.354 CA :: 56.509 CB :: 63.972 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.369 HA :: 4.865 HB2 :: 3.950 HB3 :: 4.098 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 :: 115.831 Ave N Shift Values>> N :: 116.3(3.95) Q128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 K 0.18 Q 0.17 E 0.14 I 0.09 R 0.03 P 0.02 M 0.01 C Shift Assignments>> C :: 177.486 CA :: 60.381 CB :: 28.734 CG :: 34.282 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 :: 9.145 HA :: 3.977 HB2 :: 2.110 HB3 :: 2.164 HG2 :: 2.431 HG3 :: 2.431 HE21 :: 6.946 HE22 :: 7.269 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 :: 126.959 NE2 :: 111.620 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) E129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.3 I 0.24 K 0.06 Q 0.02 M 0.01 C Shift Assignments>> C :: 179.312 CA :: 59.924 CB :: 29.284 CG :: 36.235 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 :: 8.778 HA :: 4.096 HB2 :: 2.046 HB3 :: 2.148 HG2 :: 2.387 HG3 :: 2.387 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 :: 117.915 Ave N Shift Values>> N :: 120.68(3.68) K130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.37 C 0.36 R 0.22 G 0.01 M 0.01 C Shift Assignments>> C :: 180.104 CA :: 58.820 CB :: 32.562 CG :: 25.652 CD :: 29.028 CE :: 42.298 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 :: 7.949 HA :: 4.224 HB2 :: 2.028 HB3 :: 2.028 HG2 :: 1.677 HG3 :: 1.566 HD2 :: 1.796 HD3 :: 1.796 HE2 :: 3.071 HE3 :: 3.071 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 :: 119.761 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) L131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.47 C 0.35 R 0.12 G 0.03 HN Overlap>> I23 K34 K38 C Shift Assignments>> C :: 177.724 CA :: 58.619 CB :: 42.532 CG :: 26.978 CD1 :: 23.817 CD2 :: 25.659 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 :: 8.209 HA :: 3.966 HB2 :: 1.501 HB3 :: 2.054 HG :: 1.894 HD1 :: 0.887 HD2 :: 1.013 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 :: 121.600 Ave N Shift Values>> N :: 121.98(4.07) I132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.94 C 0.05 HN Overlap>> Q74 C Shift Assignments>> C :: 178.170 CA :: 66.267 CB :: 38.022 CG1 :: 30.438 CG2 :: 17.274 CD1 :: 13.677 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 :: 8.358 HA :: 3.627 HB :: 2.006 HG2 :: 1.036 HG12 :: 1.125 HG13 :: 1.125 HD1 :: 0.951 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 :: 118.339 Ave N Shift Values>> N :: 121.6(4.72) S133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 178.178 CA :: 62.062 CB :: 62.785 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.584 HA :: 4.229 HB2 :: 4.097 HB3 :: 4.097 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 :: 114.313 Ave N Shift Values>> N :: 116.3(3.95) S134 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent HN Overlap>> F5 C Shift Assignments>> C :: 176.659 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.167 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 :: 117.640 Ave N Shift Values>> N :: 116.3(3.95) A135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.6 A 0.26 I 0.06 C 0.03 V 0.01 C Shift Assignments>> C :: 180.349 CA :: 55.860 CB :: 18.448 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.246 HA :: 4.044 HB :: 1.666 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 126.668 Ave N Shift Values>> N :: 123.23(3.7) K136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 K 0.33 R 0.26 G 0.01 M 0.01 HN Overlap>> Q74 Q164 C Shift Assignments>> C :: 179.949 CA :: 60.028 CB :: 32.211 CG :: 26.070 CD :: 29.560 CE :: 42.180 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 :: 8.486 HA :: 4.100 HB2 :: 1.999 HB3 :: 2.099 HG2 :: 1.528 HG3 :: 1.805 HD2 :: 1.745 HD3 :: 1.745 HE2 :: 2.970 HE3 :: 2.970 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 :: 118.431 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) Q137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 Q 0.23 K 0.23 E 0.12 R 0.06 I 0.03 M 0.02 HN Overlap>> A88 C Shift Assignments>> C :: 180.289 CA :: 58.776 CB :: 28.468 CG :: 34.031 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 :: 8.371 HA :: 4.358 HB2 :: 2.441 HB3 :: 2.324 HG2 :: 2.629 HG3 :: 2.533 HE21 :: 6.816 HE22 :: 7.423 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 :: 120.731 NE2 :: 110.920 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) V138 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.94 C 0.05 HN Overlap>> L16 N112 C Shift Assignments>> C :: 178.686 CA :: 67.317 CB :: 31.465 CG1 :: 22.431 CG2 :: 23.863 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 :: 8.511 HA :: 3.594 HB :: 2.392 HG1 :: 0.906 HG2 :: 1.112 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 :: 122.611 Ave N Shift Values>> N :: 121.02(4.96) A139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.66 A 0.19 I 0.09 C 0.03 HN Overlap>> D7 C Shift Assignments>> C :: 179.824 CA :: 56.122 CB :: 17.732 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.030 HA :: 4.026 HB :: 1.649 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.711 Ave N Shift Values>> N :: 123.23(3.7) A140 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.51 A 0.4 C 0.03 I 0.03 C Shift Assignments>> C :: 181.062 CA :: 54.992 CB :: 18.387 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.638 HA :: 4.332 HB :: 1.608 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.886 Ave N Shift Values>> N :: 123.23(3.7) S141 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.862 CA :: 62.366 CB :: 62.534 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.535 HA :: 4.322 HB2 :: 3.894 HB3 :: 4.010 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 :: 115.443 Ave N Shift Values>> N :: 116.3(3.95) T142 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.98 C 0.01 C Shift Assignments>> C :: 175.830 CA :: 68.127 CB :: 67.958 CG2 :: 21.767 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 :: 8.153 HA :: 3.801 HB :: 4.394 HG2 :: 1.303 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 :: 120.756 Ave N Shift Values>> N :: 115.7(5.05) A143 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.59 A 0.31 I 0.04 C 0.02 HN Overlap>> A72 C Shift Assignments>> C :: 180.203 CA :: 55.273 CB :: 17.780 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.836 HA :: 4.164 HB :: 1.648 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.503 Ave N Shift Values>> N :: 123.23(3.7) Q144 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 Q 0.23 K 0.23 E 0.11 R 0.06 I 0.03 M 0.01 HN Overlap>> Q123 C Shift Assignments>> C :: 178.519 CA :: 58.687 CB :: 28.228 CG :: 34.022 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 :: 7.742 HA :: 4.146 HB2 :: 2.322 HB3 :: 2.223 HG2 :: 2.508 HG3 :: 2.508 HE21 :: 6.777 HE22 :: 7.435 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 :: 116.653 NE2 :: 110.693 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) L145 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 L 0.35 R 0.15 K 0.04 HN Overlap>> A165 C Shift Assignments>> C :: 177.962 CA :: 58.559 CB :: 41.438 CG :: 27.643 CD1 :: 24.976 CD2 :: 26.585 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 :: 8.018 HA :: 4.055 HB2 :: 2.133 HB3 :: 1.517 HG :: 1.667 HD1 :: 0.939 HD2 :: 0.897 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 :: 121.961 Ave N Shift Values>> N :: 121.98(4.07) L146 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 L 0.34 R 0.19 K 0.02 HN Overlap>> A20 C Shift Assignments>> C :: 179.558 CA :: 59.400 CB :: 41.754 CG :: 28.163 CD1 :: 25.803 CD2 :: 24.444 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 :: 8.219 HA :: 3.960 HB2 :: 2.036 HB3 :: 1.671 HG :: 1.842 HD1 :: 0.976 HD2 :: 0.913 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 :: 119.884 Ave N Shift Values>> N :: 121.98(4.07) V147 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.95 C 0.04 C Shift Assignments>> C :: 178.234 CA :: 66.797 CB :: 31.774 CG1 :: 23.030 CG2 :: 21.287 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 :: 7.993 HA :: 3.684 HB :: 2.233 HG1 :: 1.173 HG2 :: 1.065 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 :: 118.476 Ave N Shift Values>> N :: 121.02(4.96) A148 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.56 A 0.36 I 0.03 C 0.02 HN Overlap>> A62 C Shift Assignments>> C :: 180.554 CA :: 54.983 CB :: 17.749 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.000 HA :: 4.339 HB :: 1.514 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.242 Ave N Shift Values>> N :: 123.23(3.7) C149 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.43 P 0.39 C 0.07 V 0.03 W 0.03 R 0.01 C Shift Assignments>> C :: 175.804 CA :: 63.577 CB :: 28.138 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.996 HA :: 4.511 HB2 :: 2.838 HB3 :: 3.054 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 :: 114.284 Ave N Shift Values>> N :: 119.95(4.79) K150 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.38 C 0.36 R 0.22 M 0.01 G 0.01 HN Overlap>> K28 D43 I101 C Shift Assignments>> C :: 177.101 CA :: 58.571 CB :: 32.538 CG :: 25.540 CD :: 29.028 CE :: 42.266 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 :: 8.160 HA :: 4.240 HB2 :: 2.021 HB3 :: 2.021 HG2 :: 1.552 HG3 :: 1.647 HD2 :: 1.796 HD3 :: 1.796 HE2 :: 3.040 HE3 :: 3.040 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 :: 118.637 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) V151 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.91 C 0.08 C Shift Assignments>> C :: 176.523 CA :: 64.858 CB :: 32.507 CG1 :: 21.362 CG2 :: 21.774 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 :: 7.624 HA :: 4.007 HB :: 2.286 HG1 :: 1.090 HG2 :: 1.263 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 :: 116.458 Ave N Shift Values>> N :: 121.02(4.96) K152 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.44 C 0.42 R 0.1 M 0.01 C Shift Assignments>> C :: 175.496 CA :: 55.389 CB :: 34.926 CG :: 24.448 CD :: 28.572 CE :: 41.976 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 :: 7.134 HA :: 4.435 HB2 :: 1.486 HB3 :: 1.136 HG2 :: 0.535 HG3 :: 0.779 HD2 :: 0.988 HD3 :: 1.273 HE2 :: 2.568 HE3 :: 2.568 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 :: 116.091 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) A153 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.73 M 0.18 C 0.04 L 0.03 C Shift Assignments>> C :: 176.692 CA :: 52.315 CB :: 20.283 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.829 HA :: 4.422 HB :: 1.472 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.543 Ave N Shift Values>> N :: 123.23(3.7) D154 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.28 L 0.22 K 0.14 C 0.11 N 0.08 F 0.08 R 0.05 C Shift Assignments>> C :: 177.375 CA :: 54.215 CB :: 41.397 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 :: 8.508 HA :: 4.662 HB2 :: 2.762 HB3 :: 2.762 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 :: 120.280 Ave N Shift Values>> N :: 120.73(4.2) Q155 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.25 Q 0.25 K 0.23 E 0.13 M 0.05 R 0.05 I 0.01 C Shift Assignments>> C :: 175.615 CA :: 57.431 CB :: 29.214 CG :: 33.827 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 :: 8.589 HA :: 4.180 HB2 :: 2.164 HB3 :: 2.164 HG2 :: 2.458 HG3 :: 2.458 HE21 :: 6.841 HE22 :: 7.652 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 :: 121.666 NE2 :: 112.163 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) D156 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 L 0.2 K 0.12 N 0.12 C 0.11 F 0.08 R 0.03 C Shift Assignments>> C :: 175.880 CA :: 54.099 CB :: 41.097 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 :: 8.502 HA :: 4.799 HB2 :: 2.663 HB3 :: 2.835 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 :: 118.985 Ave N Shift Values>> N :: 120.73(4.2) S157 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.630 CA :: 57.979 CB :: 64.871 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.672 HA :: 4.556 HB2 :: 4.021 HB3 :: 4.402 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 :: 115.820 Ave N Shift Values>> N :: 116.3(3.95) E158 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.31 I 0.24 K 0.06 Q 0.02 M 0.01 C Shift Assignments>> C :: 179.284 CA :: 59.767 CB :: 29.303 CG :: 36.313 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 :: 9.064 HA :: 4.091 HB2 :: 2.160 HB3 :: 2.160 HG2 :: 2.367 HG3 :: 2.367 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 :: 125.504 Ave N Shift Values>> N :: 120.68(3.68) A159 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.58 A 0.33 I 0.04 C 0.02 C Shift Assignments>> C :: 180.934 CA :: 55.240 CB :: 17.894 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.934 HA :: 4.138 HB :: 1.460 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.172 Ave N Shift Values>> N :: 123.23(3.7) M160 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 M 0.43 A 0.1 C Shift Assignments>> C :: 179.312 CA :: 56.327 CB :: 31.337 CG :: 33.025 CE :: 17.485 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 :: 7.898 HA :: 4.638 HB2 :: 2.191 HB3 :: 2.191 HG2 :: 2.748 HG3 :: 2.700 HE :: 2.082 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 :: 117.141 Ave N Shift Values>> N :: 120.1(3.88) K161 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.39 C 0.37 R 0.2 G 0.01 M 0.01 C Shift Assignments>> C :: 180.555 CA :: 60.281 CB :: 32.236 CG :: 25.535 CD :: 29.207 CE :: 42.266 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 :: 8.338 HA :: 4.165 HB2 :: 1.978 HB3 :: 2.056 HG2 :: 1.534 HG3 :: 1.534 HD2 :: 1.753 HD3 :: 1.753 HE2 :: 3.028 HE3 :: 3.028 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 :: 122.252 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) R162 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.44 C 0.37 G 0.11 K 0.06 HN Overlap>> Q98 M106 C Shift Assignments>> C :: 179.614 CA :: 59.423 CB :: 30.195 CG :: 27.592 CD :: 43.590 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 :: 8.194 HA :: 4.199 HB2 :: 1.976 HB3 :: 2.100 HG2 :: 1.965 HG3 :: 1.797 HD2 :: 3.321 HD3 :: 3.321 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 :: 120.128 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) L163 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 L 0.35 R 0.19 G 0.02 K 0.01 HN Overlap>> A166 C Shift Assignments>> C :: 178.272 CA :: 58.560 CB :: 42.317 CG :: 27.023 CD1 :: 26.924 CD2 :: 25.990 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 :: 8.216 HA :: 4.024 HB2 :: 1.803 HB3 :: 2.049 HG :: 1.694 HD1 :: 1.054 HD2 :: 1.010 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 :: 122.371 Ave N Shift Values>> N :: 121.98(4.07) Q164 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 Q 0.23 K 0.23 E 0.12 R 0.05 I 0.03 M 0.02 HN Overlap>> K136 C Shift Assignments>> C :: 178.718 CA :: 58.897 CB :: 28.526 CG :: 34.022 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 :: 8.587 HA :: 4.020 HB2 :: 2.237 HB3 :: 2.237 HG2 :: 2.508 HG3 :: 2.508 HE21 :: 6.801 HE22 :: 7.396 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 :: 118.422 NE2 :: 111.400 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) A165 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.56 A 0.35 I 0.03 C 0.02 HN Overlap>> A55 L145 E188 C Shift Assignments>> C :: 181.152 CA :: 55.093 CB :: 17.875 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.089 HA :: 4.303 HB :: 1.626 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.930 Ave N Shift Values>> N :: 123.23(3.7) A166 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.6 A 0.32 I 0.03 C 0.02 HN Overlap>> L163 C Shift Assignments>> C :: 180.635 CA :: 54.938 CB :: 17.306 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.201 HA :: 4.400 HB :: 1.611 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.445 Ave N Shift Values>> N :: 123.23(3.7) G167 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.58 C 0.25 P 0.06 A 0.04 L 0.02 N 0.01 C Shift Assignments>> C :: 176.266 CA :: 47.639 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.973 HA2 :: 3.698 HA3 :: 3.824 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.407 Ave N Shift Values>> N :: 109.91(4.29) N168 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.32 F 0.17 E 0.15 N 0.15 D 0.07 I 0.05 M 0.03 L 0.02 K 0.01 C Shift Assignments>> C :: 177.679 CA :: 55.992 CB :: 37.845 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 :: 8.520 HA :: 4.596 HB2 :: 2.942 HB3 :: 3.075 HD21 :: 7.683 HD22 :: 7.070 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 :: 122.153 ND2 :: 111.746 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) A169 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.58 A 0.32 I 0.04 C 0.02 HN Overlap>> A72 C Shift Assignments>> C :: 181.136 CA :: 55.307 CB :: 17.914 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.994 HA :: 4.273 HB :: 1.706 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.585 Ave N Shift Values>> N :: 123.23(3.7) V170 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.95 C 0.04 C Shift Assignments>> C :: 178.082 CA :: 67.269 CB :: 31.850 CG1 :: 21.931 CG2 :: 23.819 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 :: 8.260 HA :: 3.509 HB :: 2.414 HG1 :: 0.987 HG2 :: 1.166 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 :: 119.294 Ave N Shift Values>> N :: 121.02(4.96) K171 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.39 C 0.36 R 0.21 G 0.01 M 0.01 C Shift Assignments>> C :: 178.252 CA :: 60.258 CB :: 32.193 CG :: 25.178 CD :: 28.883 CE :: 42.298 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 :: 8.010 HA :: 3.927 HB2 :: 2.070 HB3 :: 2.135 HG2 :: 1.522 HG3 :: 1.609 HD2 :: 1.735 HD3 :: 1.831 HE2 :: 3.071 HE3 :: 3.071 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 :: 121.722 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) R172 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.44 C 0.37 G 0.11 K 0.06 HN Overlap>> S64 R75 C Shift Assignments>> C :: 178.603 CA :: 59.346 CB :: 30.439 CG :: 27.436 CD :: 43.580 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 :: 8.135 HA :: 4.207 HB2 :: 1.968 HB3 :: 1.968 HG2 :: 1.872 HG3 :: 1.725 HD2 :: 3.339 HD3 :: 3.339 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 :: 117.901 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) A173 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.52 A 0.39 C 0.03 I 0.03 C Shift Assignments>> C :: 180.505 CA :: 55.116 CB :: 18.575 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.988 HA :: 4.362 HB :: 1.559 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.678 Ave N Shift Values>> N :: 123.23(3.7) S174 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.020 CA :: 62.575 CB :: 62.248 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.917 HA :: 4.027 HB2 :: 4.024 HB3 :: 4.024 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 :: 115.998 Ave N Shift Values>> N :: 116.3(3.95) D175 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.32 C 0.22 L 0.11 D 0.1 I 0.09 K 0.08 N 0.02 R 0.01 C Shift Assignments>> C :: 179.233 CA :: 57.615 CB :: 40.195 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 :: 8.387 HA :: 4.467 HB2 :: 2.969 HB3 :: 2.701 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 :: 122.444 Ave N Shift Values>> N :: 120.73(4.2) N176 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.32 F 0.17 E 0.15 N 0.14 D 0.07 I 0.05 M 0.03 L 0.02 K 0.01 C Shift Assignments>> C :: 178.107 CA :: 56.047 CB :: 37.859 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 :: 8.104 HA :: 4.583 HB2 :: 2.942 HB3 :: 3.130 HD21 :: 6.861 HD22 :: 7.814 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 :: 118.419 ND2 :: 111.196 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) L177 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 L 0.31 R 0.19 K 0.03 HN Overlap>> A22 L46 C Shift Assignments>> C :: 177.901 CA :: 58.647 CB :: 41.551 CG :: 28.185 CD1 :: 25.564 CD2 :: 26.037 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 :: 8.100 HA :: 4.074 HB2 :: 1.777 HB3 :: 2.161 HG :: 1.765 HD1 :: 1.064 HD2 :: 1.002 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 :: 122.849 Ave N Shift Values>> N :: 121.98(4.07) V178 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.96 C 0.03 HN Overlap>> A61 L91 E116 C Shift Assignments>> C :: 177.707 CA :: 67.888 CB :: 31.679 CG1 :: 21.241 CG2 :: 23.751 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 :: 8.249 HA :: 3.458 HB :: 2.332 HG1 :: 1.012 HG2 :: 1.220 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 :: 119.664 Ave N Shift Values>> N :: 121.02(4.96) K179 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.59 R 0.35 G 0.02 M 0.02 C Shift Assignments>> C :: 179.419 CA :: 59.555 CB :: 32.279 CG :: 29.209 CD :: 25.548 CE :: 42.286 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 :: 7.970 HA :: 4.135 HB2 :: 1.987 HB3 :: 1.987 HG2 :: 1.772 HG3 :: 1.772 HD2 :: 1.706 HD3 :: 1.552 HE2 :: 3.055 HE3 :: 3.055 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 :: 117.605 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) A180 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.53 A 0.39 I 0.03 C 0.02 C Shift Assignments>> C :: 179.730 CA :: 54.952 CB :: 18.047 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.933 HA :: 4.249 HB :: 1.561 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.376 Ave N Shift Values>> N :: 123.23(3.7) A181 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.5 M 0.42 C 0.03 I 0.01 C Shift Assignments>> C :: 178.916 CA :: 54.525 CB :: 18.955 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.668 HA :: 4.226 HB :: 1.566 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 118.878 Ave N Shift Values>> N :: 123.23(3.7) Q182 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.27 Q 0.21 K 0.2 E 0.2 I 0.04 R 0.02 M 0.02 C Shift Assignments>> C :: 177.614 CA :: 57.978 CB :: 28.806 CG :: 34.675 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 :: 8.125 HA :: 4.159 HB2 :: 2.282 HB3 :: 2.173 HG2 :: 2.462 HG3 :: 2.724 HE21 :: 6.771 HE22 :: 7.275 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 :: 115.817 NE2 :: 110.494 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) K183 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.37 C 0.36 R 0.22 M 0.02 G 0.01 HN Overlap>> K29 C Shift Assignments>> C :: 176.962 CA :: 57.446 CB :: 32.317 CG :: 25.178 CD :: 29.161 CE :: 42.266 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 :: 7.731 HA :: 4.200 HB2 :: 1.890 HB3 :: 1.890 HG2 :: 1.609 HG3 :: 1.522 HD2 :: 1.764 HD3 :: 1.764 HE2 :: 3.040 HE3 :: 3.040 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 :: 118.655 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) A184 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.69 M 0.26 C 0.02 C Shift Assignments>> C :: 177.657 CA :: 53.116 CB :: 18.995 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.694 HA :: 3.916 HB :: 1.288 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.739 Ave N Shift Values>> N :: 123.23(3.7) A185 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.72 M 0.23 C 0.02 HN Overlap>> A186 C Shift Assignments>> C :: 177.402 CA :: 52.870 CB :: 19.186 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.815 HA :: 4.260 HB :: 1.411 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.346 Ave N Shift Values>> N :: 123.23(3.7) A186 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.75 M 0.21 C 0.02 HN Overlap>> A185 C Shift Assignments>> C :: 177.258 CA :: 52.620 CB :: 19.135 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.812 HA :: 4.309 HB :: 1.314 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.299 Ave N Shift Values>> N :: 123.23(3.7) F187 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.58 C 0.41 C Shift Assignments>> C :: 175.514 CA :: 57.587 CB :: 39.800 CD1 :: 131.983 CD2 :: 131.983 CE1 :: 131.173 CE2 :: 131.173 CZ :: 129.424 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 :: 7.946 HA :: 4.729 HB2 :: 3.067 HB3 :: 3.322 HD1 :: 7.359 HD2 :: 7.359 HE1 :: 7.419 HE2 :: 7.419 HZ :: 7.352 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 :: 118.287 Ave N Shift Values>> N :: 120.69(4.18) E188 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.34 C 0.33 M 0.17 Q 0.06 K 0.05 I 0.02 HN Overlap>> A55 A165 C Shift Assignments>> C :: 175.073 CA :: 56.404 CB :: 30.961 CG :: 35.947 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 :: 8.153 HA :: 4.440 HB2 :: 1.996 HB3 :: 2.168 HG2 :: 2.005 HG3 :: 2.172 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 :: 121.945 Ave N Shift Values>> N :: 120.68(3.68) D189 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.25 K 0.19 R 0.18 D 0.12 C 0.11 F 0.08 N 0.01 C Shift Assignments>> C :: 180.750 CA :: 55.920 CB :: 42.370 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 :: 7.977 HA :: 4.480 HB2 :: 2.669 HB3 :: 2.755 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 :: 126.840 Ave N Shift Values>> N :: 120.73(4.2) ########################################################################### Overall Results: #Consistent: 188 #Clerical: 0 #Suspicious: 0 #Anomalous: 1 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 188 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 1 Shift Relative Order (SRO) Results: #Consistent: 189 #Suspicious: 0 C Shift Results: #Consistent: 773 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 1 H Shift Results: #Consistent:1031 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 N Shift Results: #Consistent: 203 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: L66 CD2 = 28.922(M), Expected = 24.10, Std = 1.7800, ChiSquare = 6.7489e-03