V1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.8 C 0.19 C Shift Assignments>> C :: 176.232 CA :: 63.163 CB :: 32.448 CG1 :: 21.209 CG2 :: 21.211 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 :: 8.031 HA :: 3.943 HB :: 1.997 HG1 :: 0.862 HG2 :: 0.863 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 :: 121.091 Ave N Shift Values>> N :: 121.02(4.96) R2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.44 C 0.37 K 0.09 G 0.08 C Shift Assignments>> C :: 176.466 CA :: 56.48 CB :: 30.549 CG :: 27.108 CD :: 43.457 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 :: 8.224 HA :: 4.252 HB2 :: 1.749 HB3 :: 1.75 HG2 :: 1.569 HG3 :: 1.568 HD2 :: 3.136 HD3 :: 3.136 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 :: 124.469 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) L3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.63 C 0.29 R 0.04 G 0.01 A 0.01 C Shift Assignments>> C :: 177.422 CA :: 55.719 CB :: 42.19 CG :: 26.497 CD1 :: 24.978 CD2 :: 23.638 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 :: 8.112 HA :: 4.255 HB2 :: 1.575 HB3 :: 1.575 HG :: 1.568 HD1 :: 0.817 HD2 :: 0.818 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 :: 123.833 Ave N Shift Values>> N :: 121.98(4.07) I4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.76 C 0.23 C Shift Assignments>> C :: 176.731 CA :: 62.133 CB :: 38.467 CG1 :: 27.604 CG2 :: 17.463 CD1 :: 12.814 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 :: 7.908 HA :: 4.005 HB :: 1.84 HG2 :: 0.845 HG12 :: 1.107 HG13 :: 1.463 HD1 :: 0.845 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 :: 120.865 Ave N Shift Values>> N :: 121.6(4.72) E5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.34 I 0.08 K 0.07 M 0.07 Q 0.04 C Shift Assignments>> C :: 177.242 CA :: 57.793 CB :: 30.116 CG :: 36.284 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 :: 8.405 HA :: 4.315 HB2 :: 2.03 HB3 :: 2.03 HG2 :: 2.284 HG3 :: 2.285 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 123.819 Ave N Shift Values>> N :: 120.68(3.68) T6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.92 C 0.07 HN Overlap>> S61 C Shift Assignments>> C :: 174.165 CA :: 61.722 CB :: 69.369 CG2 :: 21.665 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 :: 7.836 HA :: 4.319 HB :: 4.317 HG2 :: 1.179 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 :: 112.871 Ave N Shift Values>> N :: 115.7(5.05) A7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.72 M 0.19 C 0.04 L 0.03 C Shift Assignments>> C :: 177.813 CA :: 52.474 CB :: 20.219 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.016 HA :: 4.439 HB :: 1.462 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 126.149 Ave N Shift Values>> N :: 123.23(3.7) T8 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 :: 174.013 CA :: 62.232 CB :: 68.839 CG2 :: 21.995 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 :: 8.376 HA :: 4.236 HB :: 4.377 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 :: 110.796 Ave N Shift Values>> N :: 115.7(5.05) V9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.2 K 0.19 M 0.17 Q 0.17 W 0.07 R 0.07 E 0.04 V 0.04 C Shift Assignments>> C :: 172.83 CA :: 57.37 CB :: 33.185 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 :: 7.04 HA :: 4.66 HB :: 1.476 HG1 :: 0.747 HG2 :: 0.745 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 :: 113.496 Ave N Shift Values>> N :: 121.02(4.96) P10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.65 C 0.2 R 0.04 K 0.04 I 0.02 Q 0.01 C Shift Assignments>> C :: 174.796 CA :: 62.826 CB :: 32.51 CG :: 27.812 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 :: 4.347 HB2 :: 1.582 HB3 :: 1.581 HG2 :: 1.858 HG3 :: 2.091 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) I11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.62 C 0.36 G 0.01 C Shift Assignments>> C :: 173.742 CA :: 61.279 CB :: 41.82 CG1 :: 28.508 CG2 :: 17.531 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 :: 7.601 HA :: 4.867 HB :: 1.464 HG2 :: 0.713 HG12 :: 0.975 HG13 :: 1.66 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 :: 121.26 Ave N Shift Values>> N :: 121.6(4.72) F12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.29 R 0.19 D 0.15 K 0.11 C 0.1 F 0.04 Y 0.03 G 0.02 N 0.02 C Shift Assignments>> C :: 172.111 CA :: 54.374 CB :: 42.815 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 :: 8.216 HA :: 5.111 HB2 :: 3.225 HB3 :: 3.559 HD1 :: 6.735 HE1 :: 6.53 HZ :: 6.306 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 :: 122.051 Ave N Shift Values>> N :: 120.69(4.18) A13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.46 C 0.21 K 0.1 A 0.08 M 0.06 P 0.04 R 0.01 C Shift Assignments>> C :: 176.341 CA :: 51.042 CB :: 23.736 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.271 HA :: 5.631 HB :: 1.451 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.068 Ave N Shift Values>> N :: 123.23(3.7) V14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.81 V 0.06 A 0.06 I 0.05 C Shift Assignments>> C :: 176.258 CA :: 57.781 CB :: 36.36 CG1 :: 19.815 CG2 :: 23.332 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 :: 9.151 HA :: 5.378 HB :: 2.128 HG1 :: 1.167 HG2 :: 0.995 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 :: 111.152 Ave N Shift Values>> N :: 121.02(4.96) D15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 L 0.19 N 0.14 C 0.11 K 0.09 F 0.04 Y 0.03 R 0.03 C Shift Assignments>> C :: 177.764 CA :: 52.611 CB :: 41.508 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 :: 8.481 HA :: 4.873 HB2 :: 2.735 HB3 :: 3.517 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 :: 121.818 Ave N Shift Values>> N :: 120.73(4.2) T16 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 :: 175.146 CA :: 64.638 CB :: 68.075 CG2 :: 21.738 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 :: 7.647 HA :: 3.914 HB :: 4.382 HG2 :: 1.124 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 :: 106.294 Ave N Shift Values>> N :: 115.7(5.05) D17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.24 D 0.22 K 0.15 R 0.1 C 0.1 F 0.06 N 0.04 Y 0.04 C Shift Assignments>> C :: 176.627 CA :: 54.17 CB :: 42.034 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 :: 8.113 HA :: 4.856 HB2 :: 2.697 HB3 :: 2.891 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 :: 120.846 Ave N Shift Values>> N :: 120.73(4.2) G18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 C 0.09 L 0.06 R 0.01 C Shift Assignments>> C :: 174.372 CA :: 45.919 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.281 HA2 :: 3.457 HA3 :: 4.252 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.985 Ave N Shift Values>> N :: 109.91(4.29) C19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.15 K 0.15 E 0.14 Q 0.14 C 0.13 R 0.1 I 0.08 M 0.02 L 0.02 V 0.01 C Shift Assignments>> C :: 175.185 CA :: 58.334 CB :: 28.835 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.575 HA :: 5.218 HB2 :: 3.237 HB3 :: 2.313 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 :: 121.492 Ave N Shift Values>> N :: 119.95(4.79) I20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 I 0.41 C Shift Assignments>> C :: 178.635 CA :: 59.258 CB :: 35.972 CG1 :: 26.541 CG2 :: 18.078 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 :: 9.207 HA :: 4.716 HB :: 2.377 HG2 :: 1.055 HG12 :: 1.044 HG13 :: 1.544 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 :: 123.681 Ave N Shift Values>> N :: 121.6(4.72) N21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.54 C 0.17 D 0.13 Y 0.05 F 0.04 L 0.01 E 0.01 C Shift Assignments>> C :: 175.15 CA :: 52.23 CB :: 38.314 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 :: 9.482 HA :: 4.915 HB2 :: 2.665 HB3 :: 3.197 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 :: 127.277 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) G22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 C 0.14 L 0.04 C Shift Assignments>> C :: 171.941 CA :: 46.599 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.801 HA2 :: 3.702 HA3 :: 4.344 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.937 Ave N Shift Values>> N :: 109.91(4.29) W23 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Suspicious PRTL>> C 0.19 K 0.16 M 0.14 W 0.12 R 0.12 E 0.09 Q 0.06 V 0.06 I 0.01 C Shift Assignments>> C :: 173.086 CA :: 58.008 CB :: 32.276 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 :: 8.864 HA :: 4.864 HB2 :: 2.889 HB3 :: 3.369 HD1 :: 6.618 HE1 :: 9.777 HE3 :: 7.848 HZ2 :: 7.686 HZ3 :: 6.303 HH2 :: 6.852 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 :: 106.438(S) Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) N24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.49 D 0.22 C 0.14 Y 0.04 F 0.04 L 0.04 C Shift Assignments>> C :: 173.782 CA :: 51.676 CB :: 39.308 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 :: 7.974 HA :: 4.797 HB2 :: 2.842 HB3 :: 3.638 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 :: 125.628 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) A25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.53 A 0.4 I 0.03 C 0.02 C Shift Assignments>> C :: 180.414 CA :: 54.868 CB :: 18.021 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.232 HA :: 4.05 HB :: 1.418 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 119.655 Ave N Shift Values>> N :: 123.23(3.7) K26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 K 0.27 R 0.16 M 0.06 L 0.02 V 0.02 C Shift Assignments>> C :: 177.766 CA :: 56.792 CB :: 30.15 CG :: 24.251 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 :: 7.248 HA :: 4.172 HB2 :: 1.609 HB3 :: 1.457 HG2 :: 1.001 HG3 :: 1.001 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 :: 116.653 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) V27 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> V 0.85 C 0.13 C Shift Assignments>> C :: 177.523 CA :: 65.171 CB :: 31.425 CG1 :: 22.786 CG2 :: 18.976 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 :: 7.954 HA :: 3.732 HB :: 1.385 HG1 :: 0.102 HG2 :: -0.194(S) 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 :: 120.095 Ave N Shift Values>> N :: 121.02(4.96) A28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.57 A 0.31 I 0.04 C 0.03 V 0.01 C Shift Assignments>> C :: 180.26 CA :: 55.582 CB :: 18.596 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.591 HA :: 4.554 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 :: 129.358 Ave N Shift Values>> N :: 123.23(3.7) E29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.35 C 0.33 I 0.13 K 0.07 M 0.05 Q 0.04 C Shift Assignments>> C :: 179.166 CA :: 58.997 CB :: 30.093 CG :: 36.118 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 :: 7.984 HA :: 3.896 HB2 :: 2.044 HB3 :: 2.044 HG2 :: 2.321 HG3 :: 2.321 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 :: 121.336 Ave N Shift Values>> N :: 120.68(3.68) L30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.41 C 0.39 G 0.16 A 0.02 C Shift Assignments>> C :: 178.473 CA :: 57.228 CB :: 43.417 CG :: 25.456 CD1 :: 22.43 CD2 :: 22.422 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 :: 8.016 HA :: 4.029 HB2 :: 1.357 HB3 :: 1.689 HG :: 0.72 HD1 :: 0.784 HD2 :: 0.783 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 :: 117.487 Ave N Shift Values>> N :: 121.98(4.07) T31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.77 C 0.22 C Shift Assignments>> C :: 176.18 CA :: 63.319 CB :: 73.109 CG2 :: 22.492 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 :: 7.783 HA :: 4.258 HB :: 4.671 HG2 :: 1.399 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 :: 128.592 Ave N Shift Values>> N :: 115.7(5.05) G32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.08 L 0.07 R 0.01 C Shift Assignments>> C :: 172.555 CA :: 45.689 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.91 HA2 :: 3.74 HA3 :: 4.539 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.205 Ave N Shift Values>> N :: 109.91(4.29) L33 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.62 C 0.17 G 0.15 A 0.03 C Shift Assignments>> C :: 174.793 CA :: 52.977 CB :: 43.412 CG :: 25.75 CD1 :: 23.525 CD2 :: 23.519 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 :: 8.156 HA :: 4.412 HB2 :: 1.98 HB3 :: 0.915 HG :: -0.156(S) HD1 :: -0.018 HD2 :: -0.004 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 :: 125.056 Ave N Shift Values>> N :: 121.98(4.07) S34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.348 CA :: 58.177 CB :: 64.862 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.373 HA :: 4.364 HB2 :: 3.993 HB3 :: 4.254 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 122.813 Ave N Shift Values>> N :: 116.3(3.95) V35 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 :: 176.708 CA :: 66.578 CB :: 31.938 CG1 :: 20.692 CG2 :: 22.517 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 :: 8.701 HA :: 3.679 HB :: 2.182 HG1 :: 1.062 HG2 :: 1.275 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 :: 120.452 Ave N Shift Values>> N :: 121.02(4.96) E36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.35 C 0.33 E 0.25 K 0.03 C Shift Assignments>> C :: 178.863 CA :: 59.965 CB :: 28.869 CG :: 36.945 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 :: 8.407 HA :: 3.821 HB2 :: 1.869 HB3 :: 1.87 HG2 :: 2.34 HG3 :: 2.174 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 :: 116.744 Ave N Shift Values>> N :: 120.68(3.68) E37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 E 0.36 I 0.08 M 0.08 K 0.01 C Shift Assignments>> C :: 176.29 CA :: 57.287 CB :: 31.02 CG :: 37.423 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 :: 7.261 HA :: 3.877 HB2 :: 1.74 HB3 :: 1.742 HG2 :: 2.014 HG3 :: 2.014 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 :: 117.956 Ave N Shift Values>> N :: 120.68(3.68) A38 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> A 0.52 M 0.44 C 0.01 I 0.01 C Shift Assignments>> C :: 178.113 CA :: 53.701 CB :: 17.358 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.757 HA :: 3.172 HB :: -0.342(S) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.064 Ave N Shift Values>> N :: 123.23(3.7) M39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 M 0.25 Q 0.2 K 0.16 E 0.04 R 0.03 C Shift Assignments>> C :: 177.837 CA :: 56.157 CB :: 30.862 CG :: 32.696 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 :: 6.989 HA :: 3.763 HB2 :: 1.925 HB3 :: 1.753 HG2 :: 2.829 HG3 :: 2.577 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 :: 112.934 Ave N Shift Values>> N :: 120.1(3.88) G40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.78 L 0.08 C 0.07 R 0.03 C Shift Assignments>> C :: 174.619 CA :: 45.356 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.046 HA2 :: 3.508 HA3 :: 4.207 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 112.241 Ave N Shift Values>> N :: 109.91(4.29) K41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.51 C 0.46 M 0.01 C Shift Assignments>> C :: 176.211 CA :: 55.616 CB :: 32.387 CG :: 25.654 CD :: 28.405 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 :: 7.845 HA :: 4.024 HB2 :: 1.377 HB3 :: 1.813 HG2 :: 1.173 HG3 :: 1.174 HD2 :: 1.373 HD3 :: 1.381 HE2 :: 2.759 HE3 :: 2.759 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 :: 120.484 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) S42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.825 CA :: 56.886 CB :: 62.949 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.193 HA :: 4.692 HB2 :: 3.776 HB3 :: 3.74 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 :: 115.541 Ave N Shift Values>> N :: 116.3(3.95) L43 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Anomalous PRTL>> C 0.46 L 0.42 R 0.05 G 0.03 V 0.02 C Shift Assignments>> C :: 176.728 CA :: 59.175 CB :: 42.387 CG :: 28.018 CD1 :: 23.521 CD2 :: 23.511 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 :: 8.28 HA :: 3.922 HB2 :: 1.344 HB3 :: 2.054 HG :: 0.721 HD1 :: 0.701 HD2 :: 0.701 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 :: 107.427(M) Ave N Shift Values>> N :: 121.98(4.07) V44 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 :: 176.955 CA :: 65.338 CB :: 32.143 CG1 :: 21.561 CG2 :: 23.117 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 :: 8.927 HA :: 3.513 HB :: 1.756 HG1 :: 0.847 HG2 :: 0.889 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 :: 114.985 Ave N Shift Values>> N :: 121.02(4.96) N45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.21 Y 0.19 N 0.17 F 0.15 D 0.13 L 0.04 E 0.04 I 0.02 C Shift Assignments>> C :: 176.314 CA :: 55.47 CB :: 38.713 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 :: 7.923 HA :: 4.572 HB2 :: 2.74 HB3 :: 2.472 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 113.902 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) D46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.29 L 0.28 C 0.13 G 0.12 D 0.04 F 0.04 K 0.03 Y 0.03 HN Overlap>> S84 C Shift Assignments>> C :: 177.489 CA :: 56.149 CB :: 43.909 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 :: 8.245 HA :: 5.075 HB2 :: 2.489 HB3 :: 2.931 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 :: 114.5 Ave N Shift Values>> N :: 120.73(4.2) L47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.49 C 0.3 G 0.17 A 0.01 C Shift Assignments>> C :: 176.594 CA :: 56.501 CB :: 43.816 CG :: 26.316 CD1 :: 23.058 CD2 :: 22.974 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 :: 7.041 HA :: 4.796 HB2 :: 1.638 HB3 :: 2.121 HG :: 0.531 HD1 :: 0.488 HD2 :: 0.482 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 :: 115.924 Ave N Shift Values>> N :: 121.98(4.07) I48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.56 C 0.42 C Shift Assignments>> C :: 176.424 CA :: 59.112 CB :: 40.018 CG2 :: 17.295 CD1 :: 14.446 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 :: 7.282 HA :: 5.008 HB :: 2.152 HG2 :: 0.801 HD1 :: 0.801 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 112.129 Ave N Shift Values>> N :: 121.6(4.72) F49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.28 Y 0.25 C 0.18 I 0.12 L 0.05 D 0.04 K 0.03 HN Overlap>> S97 C Shift Assignments>> C :: 177.691 CA :: 58.564 CB :: 39.954 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 :: 8.367 HA :: 4.441 HB2 :: 2.632 HB3 :: 3.153 HD1 :: 7.194 HE1 :: 7.388 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 123.278 Ave N Shift Values>> N :: 120.69(4.18) K50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.48 C 0.48 M 0.02 C Shift Assignments>> C :: 178.508 CA :: 58.947 CB :: 32.136 CG :: 24.35 CD :: 28.59 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 :: 8.476 HA :: 4.005 HB2 :: 1.71 HB3 :: 1.707 HG2 :: 1.405 HG3 :: 1.406 HD2 :: 1.673 HD3 :: 1.673 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 :: 125.351 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) E51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 E 0.33 I 0.23 K 0.04 M 0.02 C Shift Assignments>> C :: 177.932 CA :: 59.266 CB :: 29.752 CG :: 36.916 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 :: 8.456 HA :: 4.234 HB2 :: 2.104 HB3 :: 2.104 HG2 :: 2.297 HG3 :: 2.297 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 :: 117.61 Ave N Shift Values>> N :: 120.68(3.68) S52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 T 0.01 C Shift Assignments>> C :: 173.555 CA :: 59.609 CB :: 64.876 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.35 HA :: 4.825 HB2 :: 4.32 HB3 :: 4.018 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 :: 114.991 Ave N Shift Values>> N :: 116.3(3.95) E53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.44 C 0.31 E 0.2 K 0.01 M 0.01 C Shift Assignments>> C :: 176.957 CA :: 61.461 CB :: 29.921 CG :: 36.825 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 :: 8.027 HA :: 3.613 HB2 :: 2.165 HB3 :: 2.164 HG2 :: 2.14 HG3 :: 2.139 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 :: 124.257 Ave N Shift Values>> N :: 120.68(3.68) E54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 I 0.29 E 0.28 K 0.06 Q 0.01 C Shift Assignments>> C :: 179.441 CA :: 60.052 CB :: 28.967 CG :: 36.35 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 :: 8.677 HA :: 4.11 HB2 :: 2.072 HB3 :: 2.073 HG2 :: 2.328 HG3 :: 2.234 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 :: 119.778 Ave N Shift Values>> N :: 120.68(3.68) T55 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 :: 176.719 CA :: 66.814 CB :: 69.015 CG2 :: 21.863 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 :: 8.197 HA :: 3.846 HB :: 4.265 HG2 :: 1.196 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 :: 117.331 Ave N Shift Values>> N :: 115.7(5.05) V56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.77 C 0.22 C Shift Assignments>> C :: 176.69 CA :: 67.178 CB :: 31.002 CG1 :: 22.78 CG2 :: 25.38 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 :: 8.561 HA :: 3.567 HB :: 1.922 HG1 :: 0.809 HG2 :: 0.992 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 :: 122.09 Ave N Shift Values>> N :: 121.02(4.96) N57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.25 Y 0.22 F 0.15 E 0.12 N 0.07 I 0.05 D 0.04 M 0.02 L 0.01 C Shift Assignments>> C :: 178.981 CA :: 56.556 CB :: 37.917 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 :: 8.831 HA :: 4.512 HB2 :: 2.724 HB3 :: 2.894 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 :: 120.442 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) K58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 K 0.3 R 0.15 V 0.06 P 0.03 Q 0.02 M 0.02 C Shift Assignments>> C :: 177.971 CA :: 59.843 CB :: 32.215 CG :: 25.285 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 :: 7.868 HA :: 4.055 HB2 :: 1.913 HB3 :: 1.914 HG2 :: 1.411 HG3 :: 1.41 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 :: 121.398 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) L59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.49 C 0.34 G 0.12 R 0.03 C Shift Assignments>> C :: 179.231 CA :: 58.319 CB :: 43.338 CG :: 25.5 CD1 :: 25.506 CD2 :: 25.464 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 :: 8.014 HA :: 4.095 HB2 :: 1.778 HB3 :: 1.989 HG :: 1.838 HD1 :: 0.918 HD2 :: 0.889 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 :: 120.944 Ave N Shift Values>> N :: 121.98(4.07) L60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.48 C 0.34 K 0.11 G 0.02 R 0.02 C Shift Assignments>> C :: 177.702 CA :: 58.552 CB :: 42.333 CD1 :: 25.481 CD2 :: 25.482 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 :: 8.804 HA :: 3.928 HB2 :: 1.854 HB3 :: 1.69 HG :: 1.885 HD1 :: 0.994 HD2 :: 0.994 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 :: 118.97 Ave N Shift Values>> N :: 121.98(4.07) S61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> T6 C Shift Assignments>> C :: 177.491 CA :: 61.729 CB :: 62.802 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.835 HA :: 3.979 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 :: 112.869 Ave N Shift Values>> N :: 116.3(3.95) R62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 R 0.37 K 0.13 P 0.03 M 0.01 C Shift Assignments>> C :: 179.096 CA :: 59.805 CB :: 29.581 CG :: 28.358 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.953 HA :: 3.994 HB2 :: 2.098 HB3 :: 2.098 HG2 :: 1.764 HG3 :: 1.764 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 :: 120.73 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) A63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.53 A 0.36 C 0.03 I 0.03 V 0.01 C Shift Assignments>> C :: 182.309 CA :: 55.334 CB :: 18.755 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.607 HA :: 3.99 HB :: 1.278 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.331 Ave N Shift Values>> N :: 123.23(3.7) L64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.54 C 0.39 R 0.04 C Shift Assignments>> C :: 176.902 CA :: 57.054 CB :: 41.097 CG :: 26.926 CD1 :: 23.324 CD2 :: 25.65 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 :: 8.325 HA :: 4.082 HB2 :: 1.889 HB3 :: 1.452 HG :: 1.716 HD1 :: 0.647 HD2 :: 0.833 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 :: 119.817 Ave N Shift Values>> N :: 121.98(4.07) R65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.44 C 0.35 G 0.12 K 0.07 C Shift Assignments>> C :: 176.913 CA :: 55.336 CB :: 30.884 CG :: 27.224 CD :: 43.725 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.355 HA :: 4.529 HB2 :: 1.927 HB3 :: 1.929 HG2 :: 1.865 HG3 :: 1.659 HD2 :: 3.173 HD3 :: 3.17 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 115.857 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) G66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.73 L 0.1 C 0.08 R 0.04 C Shift Assignments>> C :: 173.185 CA :: 45.169 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.526 HA2 :: 3.725 HA3 :: 4.183 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.016 Ave N Shift Values>> N :: 109.91(4.29) D67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.27 L 0.21 K 0.13 C 0.1 N 0.08 F 0.07 Y 0.05 R 0.04 C Shift Assignments>> C :: 174.256 CA :: 54.025 CB :: 41.454 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 :: 7.936 HA :: 4.736 HB2 :: 2.335 HB3 :: 2.413 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 :: 124.137 Ave N Shift Values>> N :: 120.73(4.2) E68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 E 0.38 M 0.12 I 0.04 K 0.03 C Shift Assignments>> C :: 175.249 CA :: 56.073 CB :: 30.846 CG :: 37.013 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 :: 8.146 HA :: 4.095 HB2 :: 2.153 HB3 :: 2.154 HG2 :: 2.151 HG3 :: 2.147 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 123.217 Ave N Shift Values>> N :: 120.68(3.68) D69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.31 R 0.23 D 0.12 C 0.11 G 0.07 K 0.06 F 0.03 Y 0.02 N 0.01 C Shift Assignments>> C :: 174.993 CA :: 54.249 CB :: 43.378 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 :: 8.217 HA :: 4.793 HB2 :: 2.409 HB3 :: 2.41 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 :: 124.782 Ave N Shift Values>> N :: 120.73(4.2) K70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.6 K 0.37 M 0.01 C Shift Assignments>> C :: 175.479 CA :: 54.454 CB :: 35.958 CG :: 25.072 CD :: 29.177 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 :: 8.374 HA :: 4.691 HB2 :: 1.656 HB3 :: 1.657 HG2 :: 1.176 HG3 :: 1.361 HD2 :: 1.567 HD3 :: 1.57 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 :: 118.773 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) N71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.27 N 0.25 E 0.14 Y 0.11 F 0.06 M 0.06 D 0.04 K 0.02 I 0.01 C Shift Assignments>> C :: 173.984 CA :: 54.511 CB :: 37.057 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 :: 8.762 HA :: 3.853 HB2 :: 2.766 HB3 :: 2.764 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 :: 118.268 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) V72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.73 C 0.26 C Shift Assignments>> C :: 174.873 CA :: 62.316 CB :: 33.253 CG1 :: 21.553 CG2 :: 21.584 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 :: 8.982 HA :: 4.103 HB :: 1.789 HG1 :: 0.808 HG2 :: 0.798 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 121.846 Ave N Shift Values>> N :: 121.02(4.96) E73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 E 0.3 M 0.11 I 0.04 C Shift Assignments>> C :: 175.962 CA :: 56.171 CB :: 31.705 CG :: 37.674 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 :: 8.525 HA :: 4.849 HB2 :: 1.991 HB3 :: 1.992 HG2 :: 1.99 HG3 :: 1.992 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 :: 128.944 Ave N Shift Values>> N :: 120.68(3.68) I74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.61 C 0.35 G 0.03 C Shift Assignments>> C :: 172.716 CA :: 60.642 CB :: 42.228 CG1 :: 26.417 CG2 :: 18.043 CD1 :: 14.027 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 :: 9.126 HA :: 4.249 HB :: 1.503 HG2 :: 0.695 HG12 :: 0.887 HG13 :: 1.425 HD1 :: 0.592 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 :: 124.826 Ave N Shift Values>> N :: 121.6(4.72) K75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 K 0.36 Q 0.07 M 0.06 R 0.03 E 0.01 C Shift Assignments>> C :: 175.203 CA :: 54.537 CB :: 34.627 CG :: 25.055 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 :: 7.998 HA :: 4.786 HB2 :: 1.546 HB3 :: 1.367 HG2 :: 0.546 HG3 :: 0.546 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 :: 125.208 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) L76 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.42 G 0.29 C 0.21 A 0.06 C Shift Assignments>> C :: 176.562 CA :: 54.131 CB :: 44.062 CG :: 25.303 CD1 :: 22.94 CD2 :: 22.974 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 :: 8.802 HA :: 4.718 HB2 :: 1.763 HB3 :: 1.467 HG :: 0.402(S) HD1 :: 0.501 HD2 :: 0.5 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 :: 126.381 Ave N Shift Values>> N :: 121.98(4.07) K77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 K 0.25 Q 0.14 E 0.05 R 0.05 I 0.04 M 0.02 C Shift Assignments>> C :: 174.373 CA :: 57.499 CB :: 34.659 CG :: 26.081 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 :: 7.889 HA :: 4.04 HB2 :: 1.19 HB3 :: 1.38 HG2 :: 0.885 HG3 :: 0.885 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 :: 118.997 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) T78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.73 T 0.26 C Shift Assignments>> C :: 175.173 CA :: 58.646 CB :: 72.204 CG2 :: 23.563 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 6.88 HA :: 5.043 HB :: 3.859 HG2 :: 1.247 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 :: 129.987 Ave N Shift Values>> N :: 115.7(5.05) F79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.32 L 0.21 C 0.15 G 0.12 F 0.06 Y 0.04 K 0.04 D 0.02 C Shift Assignments>> C :: 175.726 CA :: 57.528 CB :: 43.864 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 :: 8.911 HA :: 4.651 HB2 :: 3.139 HB3 :: 2.395 HD1 :: 7.171 HE1 :: 7.329 HZ :: 7.208 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 :: 117.553 Ave N Shift Values>> N :: 120.69(4.18) G80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.78 L 0.08 C 0.07 R 0.03 C Shift Assignments>> C :: 174.719 CA :: 45.345 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.84 HA2 :: 3.884 HA3 :: 4.354 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.639 Ave N Shift Values>> N :: 109.91(4.29) P81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.85 C 0.1 R 0.01 I 0.01 V 0.01 C Shift Assignments>> C :: 177.632 CA :: 64.463 CB :: 32.103 CG :: 27.023 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 :: 4.455 HB2 :: 2.094 HB3 :: 2.361 HG2 :: 2.093 HG3 :: 2.097 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) E82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.32 C 0.31 K 0.14 Q 0.11 M 0.06 I 0.02 C Shift Assignments>> C :: 177.159 CA :: 55.872 CB :: 29.483 CG :: 35.757 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 :: 8.024 HA :: 4.397 HB2 :: 1.923 HB3 :: 2.263 HG2 :: 2.166 HG3 :: 2.319 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 :: 116.94 Ave N Shift Values>> N :: 120.68(3.68) Q83 Overall: Suspicious Typing: Suspicious SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 K 0.32 M 0.15 R 0.14 E 0.04 C Shift Assignments>> C :: 177.806 CA :: 57.808 CB :: 32.389 CG :: 29.581(S) 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 :: 7.409 HA :: 4.139 HB2 :: 2.255 HB3 :: 2.255 HG2 :: 1.907 HG3 :: 1.906 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 :: 120.266 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) S84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> D46 C Shift Assignments>> C :: 175.186 CA :: 59.646 CB :: 62.868 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.194 HA :: 4.171 HB2 :: 3.868 HB3 :: 3.868 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 :: 114.561 Ave N Shift Values>> N :: 116.3(3.95) K85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.48 C 0.48 M 0.03 C Shift Assignments>> C :: 177.33 CA :: 57.178 CB :: 32.722 CG :: 25.484 CD :: 29.425 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 :: 7.841 HA :: 4.176 HB2 :: 1.939 HB3 :: 1.938 HG2 :: 1.417 HG3 :: 1.417 HD2 :: 1.671 HD3 :: 1.672 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 :: 121.915 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) G86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.34 L 0.23 R 0.22 C 0.1 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> C :: 170.711 CA :: 44.26 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.496 HA2 :: 3.813 HA3 :: 4.228 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.969 Ave N Shift Values>> N :: 109.91(4.29) P87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.56 C 0.24 K 0.04 R 0.04 V 0.04 I 0.02 Q 0.01 C Shift Assignments>> C :: 176.216 CA :: 62.594 CB :: 32.711 CG :: 26.093 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 :: 4.502 HB2 :: 1.3 HB3 :: 0.979 HG2 :: 1.177 HG3 :: 0.98 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) I88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.53 C 0.43 A 0.02 C Shift Assignments>> C :: 174.247 CA :: 58.339 CB :: 39.958 CG1 :: 26.672 CG2 :: 17.953 CD1 :: 12.989 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 :: 8.227 HA :: 4.473 HB :: 1.726 HG2 :: 0.718 HG12 :: 1.128 HG13 :: 1.127 HD1 :: 0.718 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 :: 117.466 Ave N Shift Values>> N :: 121.6(4.72) F89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.2 Y 0.19 C 0.16 D 0.14 L 0.11 K 0.07 N 0.04 I 0.03 C Shift Assignments>> C :: 175.612 CA :: 56.626 CB :: 40.217 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 :: 8.446 HA :: 5.122 HB2 :: 2.762 HB3 :: 2.916 HD1 :: 7.084 HE1 :: 7.196 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 :: 124.946 Ave N Shift Values>> N :: 120.69(4.18) V90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 V 0.42 C Shift Assignments>> C :: 173.128 CA :: 59.631 CB :: 34.89 CG1 :: 20.602 CG2 :: 22.013 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 :: 8.876 HA :: 4.507 HB :: 1.842 HG1 :: 0.789 HG2 :: 1.021 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 :: 120.927 Ave N Shift Values>> N :: 121.02(4.96) I91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.58 C 0.41 C Shift Assignments>> C :: 176.223 CA :: 59.844 CB :: 37.586 CG1 :: 27.692 CG2 :: 17.802 CD1 :: 12.284 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 :: 8.6 HA :: 4.639 HB :: 1.708 HG2 :: 0.603 HG12 :: 1.476 HG13 :: 0.956 HD1 :: 0.764 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 :: 126.583 Ave N Shift Values>> N :: 121.6(4.72) V92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.84 V 0.09 A 0.04 I 0.02 C Shift Assignments>> C :: 174.363 CA :: 58.215 CB :: 35.76 CG1 :: 18.731 CG2 :: 21.385 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 :: 9.18 HA :: 5.262 HG1 :: 0.819 HG2 :: 0.699 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 :: 118.457 Ave N Shift Values>> N :: 121.02(4.96) N93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.56 D 0.16 C 0.16 Y 0.04 F 0.03 L 0.02 C Shift Assignments>> C :: 174.546 CA :: 51.364 CB :: 38.807 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 :: 8.148 HA :: 5.188 HB2 :: 2.795 HB3 :: 2.546 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 :: 118.554 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) A94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.7 M 0.12 L 0.08 C 0.07 C Shift Assignments>> C :: 176.022 CA :: 51.013 CB :: 21.267 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.425 HA :: 4.54 HB :: 1.119 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 126.089 Ave N Shift Values>> N :: 123.23(3.7) C95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.16 R 0.16 E 0.15 W 0.15 C 0.14 K 0.12 M 0.07 I 0.01 C Shift Assignments>> C :: 174.269 CA :: 56.236 CB :: 29.973 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.478 HA :: 4.732 HB2 :: 2.732 HB3 :: 2.731 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 119.778 Ave N Shift Values>> N :: 119.95(4.79) S96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.696 CA :: 60.655 CB :: 63.107 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.994 HA :: 4.159 HB2 :: 3.835 HB3 :: 3.603 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 :: 124.191 Ave N Shift Values>> N :: 116.3(3.95) S97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> F49 C Shift Assignments>> C :: 173.536 CA :: 57.25 CB :: 63.288 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.358 HA :: 4.517 HB2 :: 3.457 HB3 :: 3.162 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 :: 123.311 Ave N Shift Values>> N :: 116.3(3.95) R98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 K 0.28 R 0.16 G 0.1 C Shift Assignments>> C :: 176.535 CA :: 54.194 CB :: 33.997 CG :: 28.644 CD :: 43.252 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 :: 8.576 HA :: 5.402 HB2 :: 1.53 HB3 :: 1.53 HG2 :: 1.292 HG3 :: 1.374 HD2 :: 2.923 HD3 :: 2.923 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 :: 125.579 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) D99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.33 L 0.19 N 0.15 C 0.12 K 0.07 R 0.04 F 0.04 Y 0.03 C Shift Assignments>> C :: 179.192 CA :: 51.903 CB :: 41.669 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 :: 8.08 HA :: 4.75 HB2 :: 2.551 HB3 :: 3.258 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 :: 121.927 Ave N Shift Values>> N :: 120.73(4.2) Y100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.3 C 0.23 Y 0.19 F 0.13 E 0.09 V 0.01 C Shift Assignments>> C :: 176.679 CA :: 60.362 CB :: 37.442 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 :: 8.155 HA :: 4.326 HB2 :: 3.092 HB3 :: 3.142 HD1 :: 7.134 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 :: 118.247 Ave N Shift Values>> N :: 120.79(4.69) T101 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 :: 174.44 CA :: 61.848 CB :: 69.386 CG2 :: 21.62 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 :: 7.761 HA :: 4.145 HB :: 4.145 HG2 :: 0.875 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 :: 112.494 Ave N Shift Values>> N :: 115.7(5.05) K102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 R 0.3 K 0.26 G 0.01 L 0.01 C Shift Assignments>> C :: 175.307 CA :: 58.737 CB :: 29.399 CG :: 25.468 CD :: 29.146 CE :: 42.138 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 :: 8.022 HA :: 3.618 HB2 :: 2.287 HB3 :: 2.288 HG2 :: 1.279 HG3 :: 1.278 HD2 :: 1.565 HD3 :: 1.979 HE2 :: 2.908 HE3 :: 2.908 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 :: 113.372 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) N103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.41 D 0.21 C 0.15 Y 0.08 F 0.07 L 0.04 C Shift Assignments>> C :: 174.753 CA :: 53.204 CB :: 39.076 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 :: 8.092 HA :: 4.558 HB2 :: 2.505 HB3 :: 2.556 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 :: 120.47 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) I104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.79 C 0.2 C Shift Assignments>> C :: 177.197 CA :: 62.791 CB :: 37.775 CG2 :: 18.275 CD1 :: 13.658 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 :: 8.568 HA :: 4.255 HB :: 1.724 HG2 :: 1.063 HD1 :: 0.708 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 :: 122.527 Ave N Shift Values>> N :: 121.6(4.72) V105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.76 V 0.22 C Shift Assignments>> C :: 175.483 CA :: 60.421 CB :: 31.975 CG1 :: 17.786 CG2 :: 21.401 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 :: 8.692 HA :: 4.413 HB :: 2.428 HG1 :: 0.49 HG2 :: 0.742 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 :: 120.332 Ave N Shift Values>> N :: 121.02(4.96) G106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 C 0.08 L 0.08 R 0.02 C Shift Assignments>> C :: 170.727 CA :: 45.491 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.577 HA2 :: 3.516 HA3 :: 4.623 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.938 Ave N Shift Values>> N :: 109.91(4.29) V107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 V 0.42 C Shift Assignments>> C :: 173.044 CA :: 61.168 CB :: 36.104 CG1 :: 21.683 CG2 :: 22.615 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 :: 8.228 HA :: 4.386 HB :: 1.49 HG1 :: -0.017 HG2 :: 0.667 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 :: 119.152 Ave N Shift Values>> N :: 121.02(4.96) C108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.17 Q 0.17 W 0.14 E 0.14 C 0.13 R 0.11 I 0.04 L 0.03 M 0.03 C Shift Assignments>> C :: 171.822 CA :: 57.076 CB :: 28.875 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 9.014 HA :: 4.657 HB2 :: 2.518 HB3 :: 2.519 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 :: 126.962 Ave N Shift Values>> N :: 119.95(4.79) F109 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> Y 0.24 C 0.22 F 0.19 D 0.09 N 0.08 I 0.05 E 0.05 L 0.03 C Shift Assignments>> C :: 173.258 CA :: 56.512 CB :: 38.705 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 9.349 HA :: 4.8 HB2 :: 1.44(S) HB3 :: 1.712(S) HD1 :: 6.81 HE1 :: 7.033 HZ :: 6.532 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 :: 128.007 Ave N Shift Values>> N :: 120.69(4.18) V110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.63 C 0.36 C Shift Assignments>> C :: 177.313 CA :: 61.176 CB :: 33.896 CG1 :: 20.879 CG2 :: 21.583 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 :: 8.359 HA :: 4.216 HB :: 1.847 HG1 :: 0.851 HG2 :: 0.838 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 :: 122.26 Ave N Shift Values>> N :: 121.02(4.96) G111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 C 0.09 L 0.06 R 0.01 C Shift Assignments>> C :: 171.508 CA :: 45.883 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.845 HA2 :: 4.582 HA3 :: 3.49 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 118.018 Ave N Shift Values>> N :: 109.91(4.29) Q112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.31 C 0.27 Q 0.22 K 0.09 E 0.07 R 0.01 C Shift Assignments>> C :: 175.741 CA :: 53.784 CB :: 31.035 CG :: 33.669 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 :: 8.402 HA :: 4.316 HB2 :: 1.643 HB3 :: 2.072 HG2 :: 2.246 HG3 :: 2.246 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 :: 119.458 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) D113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.28 L 0.2 K 0.12 C 0.1 N 0.09 F 0.07 Y 0.05 R 0.04 C Shift Assignments>> C :: 176.238 CA :: 53.874 CB :: 41.407 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 :: 8.546 HA :: 4.631 HB2 :: 2.441 HB3 :: 2.632 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 :: 122.882 Ave N Shift Values>> N :: 120.73(4.2) V114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.69 C 0.3 C Shift Assignments>> C :: 176.455 CA :: 62.033 CB :: 32.507 CG1 :: 19.808 CG2 :: 21.187 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 :: 8.238 HA :: 4.254 HB :: 2.146 HG1 :: 0.871 HG2 :: 0.871 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 :: 121.272 Ave N Shift Values>> N :: 121.02(4.96) T115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.94 C 0.05 C Shift Assignments>> C :: 175.288 CA :: 62.645 CB :: 69.865 CG2 :: 21.623 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 :: 8.269 HA :: 4.274 HB :: 4.153 HG2 :: 1.177 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 :: 117.79 Ave N Shift Values>> N :: 115.7(5.05) G116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 C 0.08 L 0.08 R 0.02 C Shift Assignments>> C :: 173.313 CA :: 45.529 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.361 HA2 :: 3.897 HA3 :: 3.897 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 112.256 Ave N Shift Values>> N :: 109.91(4.29) Q117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.16 R 0.16 W 0.16 C 0.14 Q 0.13 K 0.08 M 0.08 I 0.02 V 0.01 C Shift Assignments>> C :: 180.63 CA :: 57.152 CB :: 30.348 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 :: 7.764 HA :: 4.104 HB2 :: 1.841 HB3 :: 1.842 HG2 :: 2.178 HG3 :: 2.178 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 125.376 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) ########################################################################### Overall Results: #Consistent: 109 #Clerical: 0 #Suspicious: 7 #Anomalous: 1 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 116 #Suspicious: 1 #Mistyped: 0 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 117 #Suspicious: 0 C Shift Results: #Consistent: 458 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 H Shift Results: #Consistent: 598 #Duplicate: 0 #Unknown: 0 #Suspicious: 6 #Anomalous: 0 N Shift Results: #Consistent: 112 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 1 Error Summary: W23 N = 106.438(S), Expected = 121.87, Std = 4.5800, ChiSquare = 7.5323e-04 V27 HG2 = -0.194(S), Expected = 0.83, Std = 0.2900, ChiSquare = 4.1394e-04 L33 HG = -0.156(S), Expected = 1.54, Std = 0.3300, ChiSquare = 2.7563e-07 A38 HB = -0.342(S), Expected = 1.38, Std = 0.2500, ChiSquare = 5.6582e-12 L43 N = 107.427(M), Expected = 121.98, Std = 4.0700, ChiSquare = 3.4932e-04 L76 HG = 0.402(S), Expected = 1.54, Std = 0.3300, ChiSquare = 5.6374e-04 Q83 Typing: Suspicious Q83 CG = 29.581(S), Expected = 33.72, Std = 1.1000, ChiSquare = 1.6807e-04 F109 HB2 = 1.44(S), Expected = 2.99, Std = 0.3700, ChiSquare = 2.7995e-05 F109 HB3 = 1.712(S), Expected = 2.97, Std = 0.3800, ChiSquare = 9.3121e-04