M1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.22 M 0.2 R 0.19 K 0.12 Q 0.12 E 0.1 HN Overlap>> Y36 C Shift Assignments>> CA :: 54.114 CB :: 31.134 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 :: 8.358 HA :: 4.474 HB2 :: 2.035 HB3 :: 2.035 HG2 :: 2.567 HG3 :: 2.567 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 123.161 Ave N Shift Values>> N :: 120.1(3.88) I2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.63 I 0.36 C Shift Assignments>> C :: 175.923 CA :: 59.366 CB :: 36.825 CG1 :: 25.532 CD1 :: 11.058 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 :: 8.252 HA :: 4.201 HB :: 1.873 HG2 :: 0.934 HG12 :: 1.457 HG13 :: 1.193 HD1 :: 0.862 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 :: 121.058 Ave N Shift Values>> N :: 121.6(4.72) D3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.43 D 0.23 C 0.14 Y 0.06 F 0.05 L 0.04 C Shift Assignments>> C :: 176.163 CA :: 52.715 CB :: 39.237 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 :: 8.367 HA :: 4.585 HB2 :: 2.674 HB3 :: 2.674 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 123.353 Ave N Shift Values>> N :: 120.73(4.2) D4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.4 D 0.23 C 0.14 Y 0.07 F 0.06 L 0.05 C Shift Assignments>> C :: 176.468 CA :: 53.024 CB :: 39.254 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 :: 8.302 HA :: 4.559 HB2 :: 2.683 HB3 :: 2.683 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 :: 120.088 Ave N Shift Values>> N :: 120.73(4.2) M5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 M 0.3 K 0.16 R 0.1 Q 0.02 HN Overlap>> L76 F95 C Shift Assignments>> C :: 176.011 CA :: 53.492 CB :: 30.952 CG :: 30.507 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 :: 8.244 HA :: 4.456 HB2 :: 2.106 HB3 :: 2.106 HG2 :: 2.633 HG3 :: 2.633 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 :: 118.981 Ave N Shift Values>> N :: 120.1(3.88) A6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.8 M 0.17 C 0.01 C Shift Assignments>> C :: 177.684 CA :: 50.81 CB :: 17.181 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.193 HA :: 4.335 HB :: 1.399 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.35 Ave N Shift Values>> N :: 123.23(3.7) V7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.19 C 0.18 E 0.18 M 0.12 Q 0.11 K 0.11 V 0.04 I 0.02 HN Overlap>> R94 C Shift Assignments>> CA :: 57.702 CB :: 30.952 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 :: 8.135 HA :: 4.431 HB :: 2.116 HG1 :: 1.018 HG2 :: 0.891 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 :: 119.058 Ave N Shift Values>> N :: 121.02(4.96) P8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> I 0.42 C 0.17 V 0.11 P 0.11 E 0.05 R 0.04 K 0.03 Q 0.02 C Shift Assignments>> C :: 174.491 CA :: 62.045 CB :: 29.319 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 :: 4.562 HB2 :: 2.079 HB3 :: 2.079 HD2 :: 3.834 HD3 :: 3.643 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) L9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.47 G 0.24 C 0.15 A 0.11 C Shift Assignments>> C :: 174.998 CA :: 52.878 CB :: 43.688 CD1 :: 22.766 CD2 :: 24.769 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 :: 7.484 HA :: 4.752 HB2 :: 1.428 HB3 :: 1.275 HD1 :: 0.652 HD2 :: 0.598 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 118.668 Ave N Shift Values>> N :: 121.98(4.07) T10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.81 C 0.14 S 0.03 C Shift Assignments>> CA :: 60.456 CB :: 68.212 CG2 :: 19.369 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 :: 8.397 HA :: 4.477 HB :: 4.292 HG2 :: 1.19 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 :: 117.772 Ave N Shift Values>> N :: 115.7(5.05) F11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 F 0.22 Y 0.22 C Shift Assignments>> C :: 175.2 CA :: 50.712 CB :: 38.84 CD1 :: 131.172 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 :: 8.991 HA :: 5.538 HB2 :: 3.344 HB3 :: 2.79 HD1 :: 7.052 HD2 :: 7.052 HE1 :: 7.062 HE2 :: 7.062 HZ :: 7.04 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 :: 129.227 Ave N Shift Values>> N :: 120.69(4.18) T12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.88 C 0.1 HN Overlap>> N17 C Shift Assignments>> C :: 174.288 CA :: 60.465 CB :: 68.886 CG2 :: 19.855 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 :: 8.718 HA :: 4.282 HG1 :: 6.096 HG2 :: 1.311 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 :: 114.869 Ave N Shift Values>> N :: 115.7(5.05) D13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.23 Y 0.2 N 0.16 F 0.14 D 0.09 E 0.08 I 0.03 L 0.02 M 0.01 C Shift Assignments>> C :: 178.191 CA :: 55.682 CB :: 38.211 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 :: 8.829 HA :: 4.178 HB2 :: 2.607 HB3 :: 2.607 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 119.402 Ave N Shift Values>> N :: 120.73(4.2) A14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.55 M 0.41 C 0.01 I 0.01 C Shift Assignments>> C :: 181.334 CA :: 53.306 CB :: 17.156 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.648 HA :: 4.165 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 :: 119.712 Ave N Shift Values>> N :: 123.23(3.7) A15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.5 A 0.47 C 0.01 I 0.01 C Shift Assignments>> C :: 178.597 CA :: 53.294 CB :: 16.518 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 :: 4.159 HB :: 1.603 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.242 Ave N Shift Values>> N :: 123.23(3.7) A16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.67 A 0.29 C 0.01 I 0.01 C Shift Assignments>> C :: 179.661 CA :: 53.394 CB :: 15.541 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.46 HA :: 3.637 HB :: 0.85 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.287 Ave N Shift Values>> N :: 123.23(3.7) N17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.32 N 0.19 E 0.15 M 0.13 Y 0.06 K 0.05 Q 0.02 F 0.02 D 0.01 HN Overlap>> T12 C Shift Assignments>> C :: 178.546 CA :: 53.785 CB :: 36.033 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 :: 8.709 HA :: 4.367 HB2 :: 2.827 HB3 :: 2.691 HD21 :: 7.561 HD22 :: 7.01 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 114.843 ND2 :: 111.674 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) K18 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> C 0.46 R 0.28 K 0.17 L 0.06 C Shift Assignments>> C :: 178.952 CA :: 55.203 CB :: 28.621 CD :: 28.813 CE :: 41.526 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 :: 7.655 HA :: 4.346 HB2 :: 1.659 HB3 :: 1.659 HG2 :: 0.888 HG3 :: 0.888 HD2 :: -0.102(M) HD3 :: -0.102(M) HE2 :: 3.061 HE3 :: 3.061 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 :: 121.423 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) V19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.78 C 0.21 HN Overlap>> Q46 C Shift Assignments>> C :: 177.266 CA :: 66.099 CB :: 29.561 CG1 :: 20.553 CG2 :: 24.369 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 :: 8.508 HA :: 3.666 HB :: 2.505 HG1 :: 1.133 HG2 :: 1.334 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 :: 119.447 Ave N Shift Values>> N :: 121.02(4.96) K20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.85 K 0.11 L 0.01 HN Overlap>> S93 C106 C Shift Assignments>> C :: 179.205 CA :: 58.323 CB :: 30.435 CG :: 23 CE :: 39.969 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 :: 8.419 HA :: 3.86 HB2 :: 1.906 HB3 :: 1.906 HG2 :: 1.478 HG3 :: 1.478 HD2 :: 2.001 HD3 :: 2.001 HE2 :: 2.989 HE3 :: 2.989 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 :: 117.33 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) S21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.873 CA :: 59.422 CB :: 60.883 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.852 HA :: 4.261 HB2 :: 4.007 HB3 :: 4.007 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 :: 113.718 Ave N Shift Values>> N :: 116.3(3.95) L22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 L 0.23 A 0.22 I 0.02 C Shift Assignments>> C :: 180.219 CA :: 55.938 CB :: 40.367 CD1 :: 24.408 CD2 :: 20.597 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 :: 8.322 HA :: 4.162 HB2 :: 1.757 HB3 :: 1.757 HD1 :: 0.964 HD2 :: 0.824 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 :: 122.692 Ave N Shift Values>> N :: 121.98(4.07) I23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.69 I 0.28 V 0.01 C Shift Assignments>> C :: 178.191 CA :: 62.666 CB :: 35.528 CG1 :: 22.678 CG2 :: 15.503 CD1 :: 12.147 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 :: 8.484 HA :: 3.786 HB :: 2.079 HG2 :: 0.729 HG12 :: 1.426 HG13 :: 1.243 HD1 :: 0.863 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 :: 115.901 Ave N Shift Values>> N :: 121.6(4.72) S24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.468 CA :: 59.081 CB :: 61.086 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.688 HA :: 4.26 HB2 :: 4.023 HB3 :: 4.023 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 :: 115.592 Ave N Shift Values>> N :: 116.3(3.95) E25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 Q 0.26 K 0.23 E 0.13 R 0.05 M 0.01 I 0.01 C Shift Assignments>> C :: 177.786 CA :: 56.007 CB :: 28.055 CG :: 34.423 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 :: 7.858 HA :: 4.225 HB2 :: 2.17 HB3 :: 2.088 HG2 :: 2.431 HG3 :: 2.431 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 :: 120.645 Ave N Shift Values>> N :: 120.68(3.68) E26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.19 K 0.18 R 0.17 C 0.17 L 0.15 E 0.07 M 0.03 I 0.01 C Shift Assignments>> CA :: 54.153 CB :: 28.234 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 :: 7.75 HA :: 4.223 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 :: 117.291 Ave N Shift Values>> N :: 120.68(3.68) E27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.31 R 0.23 C 0.14 Q 0.12 K 0.1 E 0.03 I 0.02 HN Overlap>> V67 C Shift Assignments>> C :: 176.062 CA :: 55.387 CB :: 26.683 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 :: 8.13 HA :: 4.007 HB2 :: 2.099 HB3 :: 2.099 HG2 :: 2.282 HG3 :: 2.282 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 :: 116.943 Ave N Shift Values>> N :: 120.68(3.68) N28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.5 C 0.34 M 0.03 Y 0.02 D 0.02 P 0.01 E 0.01 F 0.01 C Shift Assignments>> CA :: 50.489 CB :: 36.703 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 7.808 HA :: 4.91 HB2 :: 2.869 HB3 :: 2.694 HD21 :: 7.643 HD22 :: 7.174 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 114.823 ND2 :: 110.504 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) T29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.61 S 0.2 C 0.17 C Shift Assignments>> C :: 174.795 CA :: 60.591 CB :: 66.984 CG2 :: 19.776 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 :: 8.265 HA :: 4.414 HB :: 4.184 HG2 :: 1.222 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 :: 112.5 Ave N Shift Values>> N :: 115.7(5.05) D30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.41 D 0.24 C 0.14 Y 0.06 F 0.06 L 0.05 C Shift Assignments>> C :: 175.961 CA :: 52.785 CB :: 39.343 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 :: 8.34 HA :: 4.806 HB2 :: 2.865 HB3 :: 2.676 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 119.808 Ave N Shift Values>> N :: 120.73(4.2) L31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.37 L 0.31 C 0.3 C Shift Assignments>> C :: 175.099 CA :: 54.339 CB :: 41.607 CD1 :: 23.313 CD2 :: 20.984 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 :: 7.184 HA :: 3.934 HB2 :: 1.733 HB3 :: 1.645 HG :: 1.235 HD1 :: 0.812 HD2 :: 0.771 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 :: 119.201 Ave N Shift Values>> N :: 121.98(4.07) K32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 M 0.27 K 0.15 Q 0.13 R 0.07 P 0.02 E 0.02 C Shift Assignments>> C :: 175.403 CA :: 52.808 CB :: 32.992 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 :: 7.942 HA :: 4.639 HB2 :: 1.645 HB3 :: 1.645 HG2 :: 1.338 HG3 :: 1.338 HE2 :: 2.979 HE3 :: 2.793 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 :: 118.864 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) L33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.7 C 0.22 L 0.06 C Shift Assignments>> C :: 173.223 CA :: 52.338 CB :: 40.765 CD1 :: 20.493 CD2 :: 23.786 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 :: 8.562 HA :: 4.347 HB2 :: 1.094 HB3 :: 1.094 HD1 :: 0.062 HD2 :: 0.168 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 :: 121.83 Ave N Shift Values>> N :: 121.98(4.07) R34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.75 K 0.14 L 0.04 R 0.03 C Shift Assignments>> C :: 175.302 CA :: 51.678 CB :: 29.962 CD :: 40.241 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 :: 9.362 HA :: 5.428 HB2 :: 1.761 HB3 :: 1.761 HD2 :: 3.462 HD3 :: 3.462 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 :: 129.106 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) V35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 173.984 CB :: 31.896 CG1 :: 18.804 CG2 :: 19.924 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 :: 7.66 HA :: 4.791 HB :: 1.573 HG1 :: 0.596 HG2 :: 0.461 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 124.338 Ave N Shift Values>> N :: 121.02(4.96) Y36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 Y 0.48 HN Overlap>> M1 C Shift Assignments>> CA :: 52.784 CB :: 39.011 CD1 :: 133.939 CE1 :: 117.689 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 8.347 HA :: 5.085 HB2 :: 2.969 HB3 :: 2.807 HD1 :: 6.623 HD2 :: 6.623 HE1 :: 6.454 HE2 :: 6.454 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 123.063 Ave N Shift Values>> N :: 120.79(4.69) I37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.69 I 0.26 A 0.03 C Shift Assignments>> C :: 175.91 CA :: 57.001 CB :: 37.787 CG2 :: 15.923 CD1 :: 11.577 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 :: 8.195 HA :: 4.756 HB :: 1.635 HG2 :: 0.582 HG12 :: 1.369 HG13 :: 1.285 HD1 :: 0.431 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 116.659 Ave N Shift Values>> N :: 121.6(4.72) T38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.63 C 0.24 A 0.06 S 0.04 C Shift Assignments>> CA :: 58.752 CB :: 68.311 CG2 :: 19.369 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 :: 8.662 HA :: 4.578 HB :: 4.178 HG2 :: 1.074 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 :: 117.239 Ave N Shift Values>> N :: 115.7(5.05) G39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.37 L 0.27 G 0.09 C 0.08 D 0.04 K 0.04 F 0.04 Y 0.02 C Shift Assignments>> CA :: 43.459 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.21 HA2 :: 4.135 HA3 :: 3.918 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.29 Ave N Shift Values>> N :: 109.91(4.29) G40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.3 L 0.29 K 0.1 D 0.07 C 0.07 F 0.05 Y 0.03 G 0.02 I 0.01 C Shift Assignments>> C :: 173.996 CA :: 42.834 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.937 HA2 :: 4.003 HA3 :: 3.62 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.673 Ave N Shift Values>> N :: 109.91(4.29) G41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.38 L 0.27 C 0.07 G 0.05 K 0.05 D 0.05 F 0.04 Y 0.02 I 0.01 C Shift Assignments>> CA :: 43.235 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.175 HA2 :: 3.917 HA3 :: 3.917 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.658 Ave N Shift Values>> N :: 109.91(4.29) C42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> R 0.2 E 0.18 Q 0.18 C 0.17 K 0.11 M 0.1 I 0.01 V 0.01 C Shift Assignments>> C :: 174.579 CA :: 56.066 CB :: 30.252 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> HB2 :: 2.895 HB3 :: 2.74 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) S43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> S104 S111 C Shift Assignments>> C :: 174.339 CA :: 56.467 CB :: 61.711 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.33 HA :: 4.503 HB2 :: 3.882 HB3 :: 3.882 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 :: 116.881 Ave N Shift Values>> N :: 116.3(3.95) G44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.36 L 0.28 K 0.07 C 0.07 D 0.06 F 0.05 G 0.03 Y 0.03 I 0.01 C Shift Assignments>> C :: 173.223 CA :: 43.016 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.799 HA2 :: 4.17 HA3 :: 3.716 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.116 Ave N Shift Values>> N :: 109.91(4.29) F45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.2 Y 0.19 N 0.17 F 0.15 D 0.14 L 0.04 E 0.03 I 0.02 HN Overlap>> Y47 C Shift Assignments>> C :: 174.744 CA :: 55.479 CB :: 38.807 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 :: 8.075 HA :: 4.891 HB2 :: 2.753 HB3 :: 2.753 HD1 :: 6.971 HD2 :: 6.971 HE1 :: 7.105 HE2 :: 7.105 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 :: 118.139 Ave N Shift Values>> N :: 120.69(4.18) Q46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 Q 0.24 K 0.17 M 0.09 E 0.07 P 0.02 R 0.02 HN Overlap>> V19 C Shift Assignments>> C :: 174.288 CA :: 52.073 CB :: 29.417 CG :: 34.368 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 :: 8.501 HA :: 4.635 HB2 :: 1.921 HB3 :: 1.739 HG2 :: 2.178 HG3 :: 2.178 HE21 :: 7.352 HE22 :: 6.756 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 :: 119.419 NE2 :: 111.235 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) Y47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.55 C 0.44 HN Overlap>> F45 C Shift Assignments>> CA :: 54.145 CB :: 39.436 CD1 :: 133.624 CE1 :: 118.225 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 8.144 HA :: 5.178 HB2 :: 2.703 HB3 :: 2.498 HD1 :: 6.808 HD2 :: 6.808 HE1 :: 6.792 HE2 :: 6.792 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 118.177 Ave N Shift Values>> N :: 120.79(4.69) G48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.24 L 0.19 D 0.16 F 0.11 Y 0.07 C 0.07 R 0.04 I 0.04 N 0.02 C Shift Assignments>> CA :: 41.596 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.454 HA2 :: 4.235 HA3 :: 2.843 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.072 Ave N Shift Values>> N :: 109.91(4.29) F49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.38 Y 0.35 C 0.26 C Shift Assignments>> C :: 176.011 CA :: 54.299 CB :: 40.907 CD1 :: 132.376 CE1 :: 130.814 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 :: 8.005 HA :: 5.594 HB2 :: 2.781 HB3 :: 2.612 HD1 :: 6.971 HD2 :: 6.971 HE1 :: 6.976 HE2 :: 6.976 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 :: 114.164 Ave N Shift Values>> N :: 120.69(4.18) T50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 A 0.27 T 0.26 S 0.09 C Shift Assignments>> C :: 171.601 CA :: 58.189 CB :: 68.298 CG2 :: 18.258 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 :: 9.126 HA :: 4.636 HB :: 4.276 HG2 :: 1.108 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 115.859 Ave N Shift Values>> N :: 115.7(5.05) F51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.37 C 0.34 F 0.27 C Shift Assignments>> C :: 175.581 CA :: 55.615 CB :: 38.22 CD1 :: 132.121 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 :: 8.455 HA :: 5.621 HB2 :: 3.021 HB3 :: 3.021 HD1 :: 7.217 HD2 :: 7.217 HE1 :: 7.224 HE2 :: 7.224 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 122.202 Ave N Shift Values>> N :: 120.69(4.18) D52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.54 L 0.15 C 0.11 D 0.07 R 0.07 N 0.01 C Shift Assignments>> C :: 175.758 CA :: 51.009 CB :: 43.834 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 :: 9.278 HA :: 4.977 HB2 :: 2.676 HB3 :: 2.371 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 123.479 Ave N Shift Values>> N :: 120.73(4.2) E53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.28 C 0.26 K 0.24 E 0.12 M 0.04 R 0.04 C Shift Assignments>> C :: 176.975 CA :: 54.584 CB :: 28.8 CG :: 34.326 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 :: 9.241 HA :: 4.694 HB2 :: 1.99 HB3 :: 1.99 HG2 :: 2.254 HG3 :: 2.142 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 :: 125.031 Ave N Shift Values>> N :: 120.68(3.68) K54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.74 A 0.12 K 0.11 M 0.01 C Shift Assignments>> C :: 174.643 CA :: 54.346 CB :: 31.652 CG :: 22.661 CE :: 39.993 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 :: 8.293 HA :: 4.238 HB2 :: 1.851 HB3 :: 1.699 HG2 :: 1.337 HG3 :: 1.337 HD2 :: 1.692 HD3 :: 1.692 HE2 :: 3.03 HE3 :: 3.03 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 :: 121.848 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) V55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.66 V 0.32 C Shift Assignments>> C :: 176.163 CA :: 59.506 CB :: 31.165 CG1 :: 19.859 CG2 :: 18.978 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 :: 7.944 HA :: 3.981 HB :: 1.908 HG1 :: 0.861 HG2 :: 0.785 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 120.77 Ave N Shift Values>> N :: 121.02(4.96) N56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.58 C 0.2 D 0.13 Y 0.02 F 0.02 L 0.01 C Shift Assignments>> C :: 175.961 CA :: 50.039 CB :: 38.742 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 :: 9.514 HA :: 4.81 HB2 :: 2.63 HB3 :: 2.705 HD21 :: 7.939 HD22 :: 7.132 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 :: 126.282 ND2 :: 116.192 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) D57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.23 C 0.2 Y 0.16 D 0.14 F 0.12 E 0.04 L 0.03 I 0.01 M 0.01 C Shift Assignments>> C :: 177.431 CA :: 54.992 CB :: 38.545 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 :: 8.806 HA :: 4.351 HB2 :: 2.609 HB3 :: 2.609 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 :: 121.465 Ave N Shift Values>> N :: 120.73(4.2) G58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.38 L 0.27 C 0.07 K 0.06 G 0.05 D 0.05 F 0.04 Y 0.02 I 0.01 C Shift Assignments>> C :: 174.44 CA :: 43.209 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.773 HA2 :: 4.25 HA3 :: 3.699 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 113.66 Ave N Shift Values>> N :: 109.91(4.29) D59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.28 N 0.26 C 0.13 L 0.09 Y 0.09 F 0.09 K 0.02 C Shift Assignments>> C :: 176.316 CA :: 53.809 CB :: 39.872 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 :: 7.968 HA :: 4.706 HB2 :: 2.916 HB3 :: 2.313 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 119.515 Ave N Shift Values>> N :: 120.73(4.2) L60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.47 A 0.25 C 0.25 G 0.01 C Shift Assignments>> C :: 175.745 CA :: 52.196 CB :: 41.632 CD1 :: 22.265 CD2 :: 24.36 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 :: 8.876 HA :: 4.713 HB2 :: 1.7 HB3 :: 1.635 HD1 :: 0.976 HD2 :: 0.885 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 123.549 Ave N Shift Values>> N :: 121.98(4.07) T61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.57 C 0.24 A 0.16 S 0.01 C Shift Assignments>> C :: 174.262 CA :: 57.701 CB :: 68.909 CG2 :: 19.924 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 :: 8.127 HA :: 5.498 HB :: 3.998 HG2 :: 1.051 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 :: 113.554 Ave N Shift Values>> N :: 115.7(5.05) I62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.49 C 0.49 A 0.01 C Shift Assignments>> C :: 173.781 CA :: 58.291 CB :: 39.233 CG1 :: 25.473 CG2 :: 16.577 CD1 :: 12.704 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 9.062 HA :: 4.367 HB :: 1.696 HG2 :: 1.061 HG12 :: 1.413 HG13 :: 1.182 HD1 :: 0.829 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 :: 123.522 Ave N Shift Values>> N :: 121.6(4.72) E63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 R 0.18 Q 0.15 M 0.14 K 0.09 E 0.08 P 0.03 C Shift Assignments>> C :: 176.062 CA :: 52.72 CB :: 30.173 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 :: 8.705 HA :: 5.428 HB2 :: 2.075 HB3 :: 1.907 HG2 :: 2.308 HG3 :: 2.308 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 :: 126.253 Ave N Shift Values>> N :: 120.68(3.68) K64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.67 K 0.29 R 0.01 C Shift Assignments>> C :: 174.998 CA :: 54.316 CB :: 33.469 CE :: 40.244 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 9.042 HA :: 4.493 HB2 :: 1.706 HB3 :: 1.548 HG2 :: 1.267 HG3 :: 1.267 HD2 :: 1.94 HD3 :: 1.94 HE2 :: 2.951 HE3 :: 2.951 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 125.795 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) S65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.91 C 0.08 C Shift Assignments>> C :: 174.643 CA :: 56.61 CB :: 59.959 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.205 HA :: 4.116 HB2 :: 3.998 HB3 :: 3.784 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 118.042 Ave N Shift Values>> N :: 116.3(3.95) G66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.37 L 0.27 G 0.08 C 0.08 D 0.05 K 0.04 F 0.04 Y 0.02 C Shift Assignments>> CA :: 43.418 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.823 HA2 :: 4.182 HA3 :: 3.667 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 103.453 Ave N Shift Values>> N :: 109.91(4.29) V67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.82 V 0.12 A 0.04 HN Overlap>> E27 C Shift Assignments>> C :: 174.491 CA :: 57.902 CB :: 32.514 CG1 :: 20.484 CG2 :: 17.7 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 :: 8.135 HA :: 4.725 HB :: 2.362 HG1 :: 0.936 HG2 :: 1.087 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 :: 116.953 Ave N Shift Values>> N :: 121.02(4.96) Q68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 M 0.22 Q 0.2 K 0.19 R 0.04 E 0.02 C Shift Assignments>> C :: 173.73 CA :: 52.915 CB :: 30.14 CG :: 32.776 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 :: 8.591 HA :: 5.432 HB2 :: 2.068 HB3 :: 2.068 HG2 :: 2.311 HG3 :: 2.037 HE21 :: 7.491 HE22 :: 6.65 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 :: 118.24 NE2 :: 109.668 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) L69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.45 G 0.22 C 0.17 A 0.15 HN Overlap>> N98 C Shift Assignments>> C :: 175.454 CA :: 50.564 CB :: 42.795 CD1 :: 22.763 CD2 :: 24.334 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 :: 8.68 HA :: 5.274 HB2 :: 1.115 HB3 :: 1.115 HD1 :: 0.49 HD2 :: 0.417 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 123.887 Ave N Shift Values>> N :: 121.98(4.07) V70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.76 V 0.11 A 0.11 C Shift Assignments>> C :: 173.223 CA :: 57.206 CB :: 33.273 CG1 :: 18.754 CG2 :: 19.924 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 9.256 HA :: 5.332 HB :: 1.631 HG1 :: 0.812 HG2 :: 0.862 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 :: 123.1 Ave N Shift Values>> N :: 121.02(4.96) I71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.59 I 0.39 A 0.01 C Shift Assignments>> C :: 173.781 CA :: 57.956 CB :: 40.288 CG2 :: 15.49 CD1 :: 13.82 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 :: 8.71 HA :: 4.805 HB :: 1.577 HG2 :: 0.867 HG12 :: 1.245 HG13 :: 1.041 HD1 :: 0.58 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 :: 121.689 Ave N Shift Values>> N :: 121.6(4.72) D72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.56 D 0.17 C 0.16 Y 0.03 F 0.03 L 0.02 C Shift Assignments>> CA :: 51.21 CB :: 38.873 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 :: 8.737 HA :: 5.424 HB2 :: 3.069 HB3 :: 2.536 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 :: 127.113 Ave N Shift Values>> N :: 120.73(4.2) P73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.32 I 0.31 V 0.23 C 0.1 R 0.01 E 0.01 C Shift Assignments>> C :: 179.256 CA :: 63.808 CB :: 29.932 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 :: 4.301 HB2 :: 2.356 HB3 :: 2.356 HG2 :: 2.115 HG3 :: 2.115 HD2 :: 3.947 HD3 :: 3.782 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) M74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 K 0.23 R 0.2 M 0.18 Q 0.01 HN Overlap>> L76 C Shift Assignments>> C :: 178.901 CA :: 56.281 CB :: 29.941 CG :: 30.535 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 :: 8.146 HA :: 4.378 HB2 :: 2.229 HB3 :: 2.229 HG2 :: 2.709 HG3 :: 2.605 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 :: 118.923 Ave N Shift Values>> N :: 120.1(3.88) S75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.13 F 0.12 S 0.11 Y 0.1 C 0.1 T 0.1 V 0.09 E 0.05 R 0.04 K 0.03 Q 0.02 M 0.02 L 0.01 P 0.01 C Shift Assignments>> C :: 174.503 CA :: 60.006 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.836 HA :: 4.209 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 118.039 Ave N Shift Values>> N :: 116.3(3.95) L76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.64 L 0.21 A 0.13 I 0.01 HN Overlap>> M5 M74 F95 C Shift Assignments>> C :: 177.482 CA :: 56.112 CB :: 39.723 CD1 :: 21.473 CD2 :: 24.38 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 :: 8.213 HA :: 3.794 HB2 :: 1.597 HB3 :: 1.401 HD1 :: 0.764 HD2 :: 0.88 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 118.945 Ave N Shift Values>> N :: 121.98(4.07) Q77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 R 0.32 K 0.26 Q 0.04 M 0.02 C Shift Assignments>> C :: 177.228 CA :: 56.455 CB :: 26.19 CG :: 31.542 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 :: 7.222 HA :: 3.847 HB2 :: 1.887 HB3 :: 1.887 HG2 :: 2.156 HG3 :: 2.156 HE21 :: 7.412 HE22 :: 6.866 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 :: 112.923 NE2 :: 111.261 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) Y78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 Y 0.46 C Shift Assignments>> CA :: 56.984 CB :: 37.03 CD1 :: 133.626 CE1 :: 118.243 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 7.23 HA :: 4.383 HB2 :: 2.893 HB3 :: 2.718 HD1 :: 7.008 HD2 :: 7.008 HE1 :: 6.697 HE2 :: 6.697 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 114.076 Ave N Shift Values>> N :: 120.79(4.69) L79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.63 C 0.17 A 0.13 G 0.04 C Shift Assignments>> C :: 175.555 CA :: 52.455 CB :: 42.474 CD1 :: 24.049 CD2 :: 22.654 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 :: 7.637 HA :: 4.349 HB2 :: 1.622 HB3 :: 1.427 HD1 :: 0.587 HD2 :: 0.563 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 118.29 Ave N Shift Values>> N :: 121.98(4.07) I80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.61 I 0.28 M 0.09 C Shift Assignments>> C :: 176.823 CA :: 61.118 CB :: 35.839 CG2 :: 14.925 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 :: 7.286 HA :: 3.774 HB :: 1.867 HG2 :: 0.932 HG12 :: 1.435 HG13 :: 1.217 HD1 :: 0.832 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 :: 118.793 Ave N Shift Values>> N :: 121.6(4.72) G81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.3 R 0.28 K 0.11 D 0.07 C 0.07 F 0.06 Y 0.03 G 0.02 I 0.01 C Shift Assignments>> C :: 175.403 CA :: 42.78 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.189 HA2 :: 4.266 HA3 :: 3.711 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 114.935 Ave N Shift Values>> N :: 109.91(4.29) G82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.3 R 0.25 K 0.12 D 0.08 C 0.07 F 0.06 Y 0.04 G 0.02 I 0.01 C Shift Assignments>> C :: 172.564 CA :: 42.69 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.883 HA2 :: 4.527 HA3 :: 3.605 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.493 Ave N Shift Values>> N :: 109.91(4.29) T83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.87 C 0.12 C Shift Assignments>> C :: 173.73 CA :: 59.913 CB :: 70.272 CG2 :: 20.347 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 :: 8.551 HA :: 5.124 HB :: 3.919 HG2 :: 1.067 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 :: 114.62 Ave N Shift Values>> N :: 115.7(5.05) V84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 V 0.43 C Shift Assignments>> C :: 172.767 CA :: 60.396 CB :: 30.088 CG1 :: 19.93 CG2 :: 19.967 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 9.419 HA :: 4.854 HB :: 2.034 HG1 :: 0.929 HG2 :: 1.053 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 128.4 Ave N Shift Values>> N :: 121.02(4.96) D85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.95 C 0.02 C Shift Assignments>> C :: 174.237 CA :: 48.861 CB :: 44.38 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 :: 8.949 HA :: 5.614 HB2 :: 2.647 HB3 :: 2.329 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 :: 127.105 Ave N Shift Values>> N :: 120.73(4.2) Y86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.59 C 0.4 C Shift Assignments>> C :: 173.603 CA :: 55.864 CB :: 40.036 CD1 :: 133.021 CE1 :: 117.689 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 8.559 HA :: 4.803 HB2 :: 2.441 HB3 :: 2.163 HD1 :: 5.919 HD2 :: 5.919 HE1 :: 6.304 HE2 :: 6.304 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 121.103 Ave N Shift Values>> N :: 120.79(4.69) T87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.44 C 0.3 A 0.23 S 0.01 C Shift Assignments>> C :: 171.652 CA :: 58.043 CB :: 68.973 CG2 :: 18.813 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 :: 7.93 HA :: 4.269 HB :: 3.813 HG2 :: 0.991 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 :: 120.113 Ave N Shift Values>> N :: 115.7(5.05) E88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 Q 0.28 K 0.22 E 0.09 M 0.07 R 0.03 C Shift Assignments>> C :: 175.859 CA :: 53.364 CB :: 29.158 CG :: 34.262 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 :: 8.185 HA :: 4.467 HB2 :: 1.863 HB3 :: 1.863 HG2 :: 2.122 HG3 :: 2.122 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 122.333 Ave N Shift Values>> N :: 120.68(3.68) G89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.3 R 0.27 K 0.11 D 0.07 C 0.07 F 0.06 Y 0.03 G 0.02 I 0.01 C Shift Assignments>> C :: 174.491 CA :: 42.764 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.884 HA2 :: 4.234 HA3 :: 4 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.391 Ave N Shift Values>> N :: 109.91(4.29) L90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 L 0.28 A 0.16 C Shift Assignments>> C :: 178.901 CA :: 55.522 CB :: 39.988 CD1 :: 22.827 CD2 :: 21.64 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 :: 8.651 HA :: 4.101 HB2 :: 1.68 HB3 :: 1.572 HD1 :: 0.915 HD2 :: 0.874 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 :: 122.403 Ave N Shift Values>> N :: 121.98(4.07) E91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.25 R 0.2 Q 0.16 C 0.15 K 0.13 E 0.05 M 0.01 I 0.01 C Shift Assignments>> C :: 176.011 CA :: 54.46 CB :: 27.55 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 :: 8.813 HA :: 4.337 HB2 :: 2.162 HB3 :: 1.896 HG2 :: 2.196 HG3 :: 2.196 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 115.782 Ave N Shift Values>> N :: 120.68(3.68) G92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.31 K 0.17 R 0.16 D 0.1 F 0.07 C 0.07 Y 0.04 I 0.02 N 0.01 G 0.01 C Shift Assignments>> CA :: 42.368 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.637 HA2 :: 4.382 HA3 :: 3.823 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.653 Ave N Shift Values>> N :: 109.91(4.29) S93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 C 0.01 HN Overlap>> K20 C106 C Shift Assignments>> C :: 173.68 CA :: 55.536 CB :: 62.111 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.449 HA :: 5.005 HB2 :: 3.711 HB3 :: 3.711 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 117.341 Ave N Shift Values>> N :: 116.3(3.95) R94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.26 R 0.18 Q 0.17 M 0.13 K 0.11 E 0.1 L 0.01 HN Overlap>> V7 C Shift Assignments>> CA :: 53.135 CB :: 30.077 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 :: 8.118 HA :: 4.591 HD2 :: 3.071 HD3 :: 3.071 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 :: 119.15 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) F95 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.48 Y 0.33 F 0.17 HN Overlap>> M5 L76 C Shift Assignments>> C :: 175.758 CA :: 56.449 CB :: 36.522 CD1 :: 132.059 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 :: 8.26 HA :: 5.128 HB2 :: 1.937 HB3 :: 1.693(S) HD1 :: 7.122 HD2 :: 7.122 HE1 :: 6.966 HE2 :: 6.966 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 119.014 Ave N Shift Values>> N :: 120.69(4.18) T96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.62 C 0.24 A 0.12 C Shift Assignments>> C :: 175.809 CA :: 58.223 CB :: 69.851 CG2 :: 19.369 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 :: 8.752 HA :: 4.829 HB :: 4.037 HG2 :: 1.021 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 :: 112.446 Ave N Shift Values>> N :: 115.7(5.05) V97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.65 V 0.31 A 0.02 C Shift Assignments>> C :: 174.947 CA :: 58.263 CB :: 32.244 CG1 :: 19.805 CG2 :: 19.928 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 :: 7.663 HA :: 4.959 HB :: 1.288 HG1 :: 0.462 HG2 :: 0.523 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 :: 118.558 Ave N Shift Values>> N :: 121.02(4.96) N98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.57 C 0.18 D 0.15 Y 0.02 F 0.02 L 0.02 HN Overlap>> L69 C Shift Assignments>> CA :: 50.295 CB :: 38.91 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 :: 8.768 HA :: 4.781 HB2 :: 2.741 HB3 :: 2.741 HD21 :: 7.548 HD22 :: 7.08 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 123.894 ND2 :: 112.236 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) N99 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> HA :: 4.334 HB2 :: 3.081 HB3 :: 2.569 HD21 :: 7.501 HD22 :: 6.915 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>> ND2 :: 110.02 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) P100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> I 0.28 V 0.19 P 0.18 C 0.17 E 0.05 R 0.05 K 0.02 Q 0.02 M 0.01 C Shift Assignments>> C :: 176.835 CA :: 61.927 CB :: 30.081 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 :: 4.469 HB2 :: 2.271 HB3 :: 2.028 HG2 :: 2.026 HG3 :: 2.026 HD2 :: 3.862 HD3 :: 3.684 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) N101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.53 C 0.26 D 0.04 Y 0.04 M 0.03 E 0.03 F 0.02 C Shift Assignments>> C :: 174.998 CA :: 51.645 CB :: 37.045 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 :: 8.225 HA :: 4.715 HB2 :: 2.881 HB3 :: 2.795 HD21 :: 7.634 HD22 :: 7.228 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 :: 115.759 ND2 :: 113.976 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) A102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.83 M 0.14 C 0.01 C Shift Assignments>> CA :: 50.87 CB :: 17.669 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.871 HA :: 4.436 HB :: 1.487 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.605 Ave N Shift Values>> N :: 123.23(3.7) T103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.77 C 0.17 S 0.04 C Shift Assignments>> CA :: 60.07 CB :: 68.107 CG2 :: 19.369 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 :: 8.205 HA :: 4.446 HB :: 4.304 HG2 :: 1.23 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 :: 112.152 Ave N Shift Values>> N :: 115.7(5.05) S104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> S43 C Shift Assignments>> CA :: 56.331 CB :: 61.906 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.308 HA :: 4.419 HB2 :: 3.918 HB3 :: 3.918 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 :: 116.815 Ave N Shift Values>> N :: 116.3(3.95) T105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.93 S 0.06 C Shift Assignments>> CA :: 60.169 CB :: 67.816 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 :: 8.27 HA :: 4.424 HB :: 4.316 HG2 :: 1.219 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 :: 114.655 Ave N Shift Values>> N :: 115.7(5.05) C106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.26 R 0.23 K 0.17 C 0.14 Q 0.1 I 0.04 E 0.03 HN Overlap>> K20 S93 C Shift Assignments>> CA :: 56.317 CB :: 26.262 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.392 HA :: 4.551 HB2 :: 3.011 HB3 :: 3.011 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 :: 117.392 Ave N Shift Values>> N :: 119.95(4.79) G107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.36 L 0.27 G 0.1 C 0.08 D 0.04 F 0.04 K 0.03 Y 0.02 C Shift Assignments>> CA :: 43.534 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.593 HA2 :: 4.031 HA3 :: 4.031 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.85 Ave N Shift Values>> N :: 109.91(4.29) C108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.19 R 0.18 K 0.17 L 0.16 C 0.15 E 0.08 M 0.02 I 0.01 C Shift Assignments>> CA :: 54.875 CB :: 28.064 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.347 HB2 :: 2.967 HB3 :: 2.967 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 :: 118.146 Ave N Shift Values>> N :: 119.95(4.79) G109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.36 L 0.27 G 0.1 C 0.08 D 0.04 F 0.04 K 0.04 Y 0.02 C Shift Assignments>> C :: 174.174 CA :: 43.499 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.424 HA2 :: 4.242 HA3 :: 3.994 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.274 Ave N Shift Values>> N :: 109.91(4.29) S110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.681 CA :: 60.028 CB :: 62.275 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.286 HB2 :: 4.044 HB3 :: 3.885 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 115.016 Ave N Shift Values>> N :: 116.3(3.95) S111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.12 M 0.11 K 0.11 R 0.1 C 0.09 L 0.09 E 0.08 Y 0.07 F 0.06 D 0.04 S 0.04 N 0.01 A 0.01 HN Overlap>> S43 C Shift Assignments>> CA :: 56.444 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.36 HA :: 4.552 HB2 :: 3.839 HB3 :: 3.839 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 :: 116.937 Ave N Shift Values>> N :: 116.3(3.95) F112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.23 Y 0.18 N 0.18 F 0.13 D 0.08 E 0.08 I 0.02 L 0.02 M 0.02 C Shift Assignments>> C :: 175.264 CA :: 55.448 CB :: 38.088 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 :: 8.237 HB2 :: 3.165 HB3 :: 3.017 HD1 :: 7.216 HD2 :: 7.216 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 :: 120.936 Ave N Shift Values>> N :: 120.69(4.18) S113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.122 CA :: 56.187 CB :: 62.174 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.234 HA :: 4.537 HB2 :: 3.843 HB3 :: 3.843 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 :: 117.358 Ave N Shift Values>> N :: 116.3(3.95) I114 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 7.818 HA :: 4.143 HB :: 1.868 HG2 :: 0.918 HG12 :: 1.448 HG13 :: 1.155 HD1 :: 0.879 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 :: 126.003 Ave N Shift Values>> N :: 121.6(4.72) ########################################################################### Overall Results: #Consistent: 112 #Clerical: 0 #Suspicious: 1 #Anomalous: 1 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 112 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 2 Shift Relative Order (SRO) Results: #Consistent: 114 #Suspicious: 0 C Shift Results: #Consistent: 379 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 591 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 2 N Shift Results: #Consistent: 118 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: K18 HD2 = -0.102(M), Expected = 1.61, Std = 0.2500, ChiSquare = 7.4890e-12 K18 HD3 = -0.102(M), Expected = 1.61, Std = 0.2500, ChiSquare = 7.4890e-12 F95 HB3 = 1.693(S), Expected = 2.97, Std = 0.3800, ChiSquare = 7.7794e-04