Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.L1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> L 0.49 C 0.38 G 0.08 R 0.03 C Shift Assignments>> C :: 170.532 CA :: 53.650 CB :: 42.643 CG :: 25.740 CD1 :: 21.441 CD2 :: 25.299 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> HA :: 4.104 HB2 :: 1.448 HB3 :: 1.486 HG :: 1.375 HD11 :: 0.656 HD12 :: 0.656 HD13 :: 0.656 HD21 :: 0.552 HD22 :: 0.552 HD23 :: 0.552 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) 1.E2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 E 0.39 Q 0.18 C Shift Assignments>> C :: 174.236 CA :: 53.432 CB :: 30.992 CG :: 35.069 CD :: 181.659 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.870 HA :: 5.038 HB2 :: 1.730 HB3 :: 1.730 HG2 :: 1.859 HG3 :: 1.996 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 127.735 Ave N Shift Values>> N :: 120.67(3.48) 1.C3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.55 D 0.26 C 0.08 L 0.06 Y 0.02 C Shift Assignments>> C :: 174.727 CA :: 50.417 CB :: 39.929 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.664 HA :: 5.051 HB2 :: 2.308 HB3 :: 2.887 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 120.495 Ave N Shift Values>> N :: 120.17(4.64) 1.H4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.43 C 0.37 W 0.19 C Shift Assignments>> C :: 175.445 CA :: 57.135 CB :: 27.353 CG :: 130.389 CD2 :: 122.738 CE1 :: 137.253 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 9.647 HA :: 5.171 HB2 :: 2.655 HB3 :: 3.548 HD2 :: 6.578 HE1 :: 7.992 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 120.439 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.N5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.85 C 0.09 D 0.05 C Shift Assignments>> C :: 173.159 CA :: 51.110 CB :: 37.952 CG :: 176.679 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.284 HA :: 4.798 HB2 :: 3.040 HB3 :: 2.027 HD21 :: 7.529 HD22 :: 6.986 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 116.539 ND2 :: 113.547 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.Q6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.76 Q 0.23 C Shift Assignments>> C :: 173.856 CA :: 54.973 CB :: 25.850 CG :: 32.409 CD :: 180.831 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 9.069 HA :: 4.508 HB2 :: 1.864 HB3 :: 2.583 HG2 :: 2.576 HG3 :: 1.912 HE21 :: 7.725 HE22 :: 6.501 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 126.434 NE2 :: 109.365 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Q7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.62 C 0.33 E 0.03 C Shift Assignments>> C :: 175.782 CA :: 53.731 CB :: 29.925 CG :: 33.439 CD :: 179.932 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.393 HA :: 4.735 HB2 :: 1.971 HB3 :: 2.142 HG2 :: 2.552 HG3 :: 2.552 HE21 :: 7.395 HE22 :: 6.905 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 121.867 NE2 :: 111.418 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.S8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.893 CA :: 59.315 CB :: 61.573 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.651 HA :: 3.836 HB2 :: 3.946 HB3 :: 4.093 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 116.084 Ave N Shift Values>> N :: 116.28(3.52) 1.S9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.119 CA :: 56.718 CB :: 61.958 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.253 HA :: 4.623 HB2 :: 3.913 HB3 :: 3.951 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 119.720 Ave N Shift Values>> N :: 116.28(3.52) 1.Q10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.51 C 0.47 E 0.01 C Shift Assignments>> C :: 172.098 CA :: 54.310 CB :: 26.550 CG :: 33.536 CD :: 179.724 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.038 HA :: 4.297 HB2 :: 1.966 HB3 :: 2.242 HG2 :: 2.424 HG3 :: 2.585 HE21 :: 7.554 HE22 :: 6.872 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 121.130 NE2 :: 112.206 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.P11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.81 P 0.18 C Shift Assignments>> C :: 174.059 CA :: 60.718 CB :: 30.046 CG :: 27.201 CD :: 49.202 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.529 HB2 :: 1.731 HB3 :: 2.303 HG2 :: 2.105 HG3 :: 1.973 HD2 :: 3.572 HD3 :: 3.766 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) N Shift Assignments>> N :: 136.317 Ave N Shift Values>> N :: 134.16(6.62) 1.P12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.7 C 0.29 C Shift Assignments>> C :: 175.895 CA :: 62.814 CB :: 31.256 CG :: 26.923 CD :: 49.737 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 3.775 HB2 :: 1.844 HB3 :: 1.885 HG2 :: 2.019 HG3 :: 1.816 HD2 :: 3.545 HD3 :: 3.779 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) N Shift Assignments>> N :: 133.490 Ave N Shift Values>> N :: 134.16(6.62) 1.T13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.67 C 0.32 C Shift Assignments>> C :: 174.613 CA :: 59.608 CB :: 72.165 CG2 :: 20.664 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.918 HA :: 4.720 HB :: 4.489 HG21 :: 1.180 HG22 :: 1.180 HG23 :: 1.180 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 113.795 Ave N Shift Values>> N :: 115.42(4.75) 1.T14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.73 C 0.26 C Shift Assignments>> C :: 172.085 CA :: 59.268 CB :: 71.359 CG2 :: 20.569 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.612 HA :: 4.996 HB :: 3.702 HG21 :: 0.445 HG22 :: 0.445 HG23 :: 0.445 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 113.678 Ave N Shift Values>> N :: 115.42(4.75) 1.K15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.71 K 0.26 R 0.01 HN Overlap>> 1.C40 1.C40 C Shift Assignments>> C :: 173.408 CA :: 53.470 CB :: 35.389 CG :: 22.763 CD :: 28.648 CE :: 41.255 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.719 HA :: 4.623 HB2 :: 1.523 HB3 :: 1.709 HG2 :: 1.184 HG3 :: 1.184 HD2 :: 1.621 HD3 :: 1.665 HE2 :: 2.923 HE3 :: 3.020 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 118.848 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.T16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.89 C 0.1 C Shift Assignments>> C :: 173.947 CA :: 62.004 CB :: 68.162 CG2 :: 21.013 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.568 HA :: 4.466 HB :: 3.955 HG21 :: 1.183 HG22 :: 1.183 HG23 :: 1.183 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 119.522 Ave N Shift Values>> N :: 115.42(4.75) 1.C17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.67 D 0.14 C 0.09 Y 0.04 L 0.03 C Shift Assignments>> C :: 174.293 CA :: 52.113 CB :: 38.548 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.806 HA :: 4.801 HB2 :: 2.819 HB3 :: 3.541 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 126.659 Ave N Shift Values>> N :: 120.17(4.64) 1.S18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.252 CA :: 57.546 CB :: 61.955 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.896 HA :: 4.478 HB2 :: 3.822 HB3 :: 3.877 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 120.410 Ave N Shift Values>> N :: 116.28(3.52) 1.G19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.62 L 0.21 R 0.08 C 0.04 D 0.01 Y 0.01 C Shift Assignments>> C :: 173.293 CA :: 44.670 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.571 HA2 :: 3.743 HA3 :: 4.092 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.665 Ave N Shift Values>> N :: 109.67(3.87) 1.E20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.4 C 0.36 Q 0.23 C Shift Assignments>> C :: 175.322 CA :: 55.447 CB :: 30.258 CG :: 34.904 CD :: 181.628 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.771 HA :: 4.568 HB2 :: 1.900 HB3 :: 2.171 HG2 :: 2.323 HG3 :: 2.278 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.512 Ave N Shift Values>> N :: 120.67(3.48) 1.T21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.86 C 0.13 C Shift Assignments>> C :: 173.117 CA :: 60.519 CB :: 68.968 CG2 :: 20.744 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.675 HA :: 4.368 HB :: 4.363 HG21 :: 1.146 HG22 :: 1.146 HG23 :: 1.146 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 110.032 Ave N Shift Values>> N :: 115.42(4.75) 1.N22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.9 C 0.05 D 0.02 N 0.01 C Shift Assignments>> C :: 173.107 CA :: 51.367 CB :: 43.937 CG :: 174.901 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.818 HA :: 5.456 HB2 :: 2.287 HB3 :: 2.686 HD21 :: 7.146 HD22 :: 6.705 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 119.136 ND2 :: 111.520 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.C23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.67 D 0.15 C 0.08 Y 0.04 L 0.03 C Shift Assignments>> C :: 174.106 CA :: 51.759 CB :: 38.731 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 9.265 HA :: 5.612 HB2 :: 2.725 HB3 :: 3.286 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 116.239 Ave N Shift Values>> N :: 120.17(4.64) 1.Y24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.72 C 0.26 C Shift Assignments>> C :: 174.535 CA :: 55.456 CB :: 41.038 CD1 :: 133.016 CD2 :: 133.016 CE1 :: 116.236 CE2 :: 116.236 CZ :: 157.220 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.741 HA :: 6.220 HB2 :: 2.949 HB3 :: 3.819 HD1 :: 6.698 HD2 :: 6.698 HE1 :: 6.539 HE2 :: 6.539 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 113.685 Ave N Shift Values>> N :: 120.52(4.2) 1.K25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.61 K 0.33 R 0.04 C Shift Assignments>> C :: 172.539 CA :: 55.316 CB :: 36.420 CG :: 25.231 CD :: 28.956 CE :: 41.004 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 9.104 HA :: 5.087 HB2 :: 1.643 HB3 :: 1.972 HG2 :: 1.257 HG3 :: 1.257 HD2 :: 1.365 HD3 :: 1.365 HE2 :: 2.366 HE3 :: 2.366 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 125.693 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K26 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.85 K 0.13 R 0.01 C Shift Assignments>> C :: 173.815 CA :: 53.381 CB :: 37.099 CG :: 24.316 CD :: 29.878 CE :: 40.828 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 9.982 HA :: 5.899(S) HB2 :: 1.927 HB3 :: 2.048 HG2 :: 1.535 HG3 :: 1.535 HD2 :: 1.559 HD3 :: 1.559 HE2 :: 2.686 HE3 :: 2.632 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 129.854 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.W27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.5 C 0.49 C Shift Assignments>> C :: 172.810 CA :: 56.267 CB :: 33.374 CG :: 111.132 CD1 :: 126.315 CD2 :: 129.090 CE2 :: 138.640 CE3 :: 120.695 CZ2 :: 113.903 CZ3 :: 120.914 CH2 :: 123.806 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 9.119 HA :: 6.212 HB2 :: 3.115 HB3 :: 3.266 HD1 :: 7.036 HE1 :: 10.296 HE3 :: 7.171 HZ2 :: 7.407 HZ3 :: 6.855 HH2 :: 7.124 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 123.412 NE1 :: 130.930 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.W28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.55 C 0.44 C Shift Assignments>> C :: 171.959 CA :: 56.106 CB :: 30.758 CG :: 110.020 CD1 :: 126.824 CD2 :: 129.086 CE2 :: 138.370 CE3 :: 120.075 CZ2 :: 114.017 CZ3 :: 120.219 CH2 :: 123.437 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 8.679 HA :: 5.017 HB2 :: 3.327 HB3 :: 3.590 HD1 :: 6.976 HE1 :: 10.257 HE3 :: 7.175 HZ2 :: 7.400 HZ3 :: 6.731 HH2 :: 7.158 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 120.984 NE1 :: 130.294 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.S29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.021 CA :: 56.493 CB :: 64.345 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.552 HA :: 5.246 HB2 :: 3.713 HB3 :: 3.837 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 113.876 Ave N Shift Values>> N :: 116.28(3.52) 1.D30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.75 N 0.17 C 0.07 C Shift Assignments>> C :: 175.923 CA :: 52.176 CB :: 41.496 CG :: 178.780 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.596 HA :: 4.825 HB2 :: 3.110 HB3 :: 2.821 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 125.122 Ave N Shift Values>> N :: 120.65(3.86) 1.H31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 H 0.45 W 0.09 C Shift Assignments>> C :: 174.685 CA :: 57.535 CB :: 27.086 CG :: 131.178 CD2 :: 118.958 CE1 :: 136.064 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.772 HA :: 4.386 HB2 :: 3.333 HB3 :: 3.280 HD2 :: 7.276 HE1 :: 8.454 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 117.632 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.R32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.53 C 0.44 G 0.02 C Shift Assignments>> C :: 175.318 CA :: 55.834 CB :: 29.508 CG :: 25.994 CD :: 42.462 CZ :: 159.066 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.678 HA :: 4.202 HB2 :: 1.815 HB3 :: 1.850 HG2 :: 1.519 HG3 :: 1.246 HD2 :: 3.170 HD3 :: 3.089 HE :: 7.352 HH11 :: 6.776 HH12 :: 6.776 HH21 :: 6.775 HH22 :: 6.775 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 117.896 NE :: 84.680 NH1 :: 71.902 NH2 :: 71.482 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.G33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.38 L 0.31 G 0.13 D 0.05 C 0.04 Y 0.02 K 0.02 C Shift Assignments>> C :: 171.412 CA :: 43.657 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.904 HA2 :: 3.870 HA3 :: 4.236 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.623 Ave N Shift Values>> N :: 109.67(3.87) 1.T34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.91 C 0.08 C Shift Assignments>> C :: 172.818 CA :: 61.783 CB :: 69.196 CG2 :: 20.678 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.322 HA :: 4.623 HB :: 3.801 HG21 :: 1.042 HG22 :: 1.042 HG23 :: 1.042 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 117.635 Ave N Shift Values>> N :: 115.42(4.75) 1.I35 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.52 I 0.47 C Shift Assignments>> C :: 173.094 CA :: 59.088 CB :: 37.467 CG1 :: 26.585 CG2 :: 17.685 CD1 :: 11.219 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.643 HA :: 3.877 HB :: 0.048(S) HG12 :: 0.739 HG13 :: 0.976 HG21 :: 0.322 HG22 :: 0.322 HG23 :: 0.322 HD11 :: 0.499 HD12 :: 0.499 HD13 :: 0.499 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 131.385 Ave N Shift Values>> N :: 121.46(4.28) 1.I36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.53 C 0.46 HN Overlap>> 1.V49 1.N61 1.V49 1.N61 C Shift Assignments>> C :: 174.646 CA :: 58.817 CB :: 40.952 CG1 :: 26.381 CG2 :: 17.969 CD1 :: 13.351 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.462 HA :: 5.131 HB :: 1.367 HG12 :: 0.810 HG13 :: 1.446 HG21 :: 0.810 HG22 :: 0.810 HG23 :: 0.810 HD11 :: 0.599 HD12 :: 0.599 HD13 :: 0.599 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 121.317 Ave N Shift Values>> N :: 121.46(4.28) 1.E37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.75 E 0.22 D 0.01 C Shift Assignments>> C :: 173.236 CA :: 53.724 CB :: 33.639 CG :: 36.042 CD :: 182.583 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.888 HA :: 4.897 HB2 :: 2.230 HB3 :: 2.277 HG2 :: 2.286 HG3 :: 2.552 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 128.954 Ave N Shift Values>> N :: 120.67(3.48) 1.R38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 R 0.39 G 0.19 C Shift Assignments>> C :: 174.209 CA :: 52.930 CB :: 33.980 CG :: 28.045 CD :: 43.278 CZ :: 158.800 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.661 HA :: 4.835 HB2 :: 1.093 HB3 :: 1.400 HG2 :: 1.445 HG3 :: 1.555 HD2 :: 3.051 HD3 :: 3.051 HE :: 7.162 HH11 :: 6.776 HH12 :: 6.776 HH21 :: 6.775 HH22 :: 6.775 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 123.859 NE :: 84.622 NH1 :: 71.969 NH2 :: 71.560 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.G39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.08 C 0.02 C Shift Assignments>> C :: 171.159 CA :: 45.442 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 6.267 HA2 :: 3.847 HA3 :: 3.782 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 104.392 Ave N Shift Values>> N :: 109.67(3.87) 1.C40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.34 R 0.32 D 0.1 G 0.08 C 0.05 K 0.03 Y 0.03 HN Overlap>> 1.K15 1.K15 C Shift Assignments>> C :: 174.093 CA :: 55.413 CB :: 43.610 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.693 HA :: 5.185 HB2 :: 3.150 HB3 :: 2.927 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 118.836 Ave N Shift Values>> N :: 120.17(4.64) 1.G41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.44 L 0.29 D 0.07 K 0.05 G 0.04 Y 0.03 C 0.03 I 0.01 C Shift Assignments>> C :: 169.975 CA :: 43.139 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.237 HA2 :: 3.699 HA3 :: 4.273 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.168 Ave N Shift Values>> N :: 109.67(3.87) 1.C42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.63 C 0.19 E 0.05 Y 0.05 D 0.03 C Shift Assignments>> C :: 170.387 CA :: 52.343 CB :: 36.986 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.058 HA :: 5.069 HB2 :: 2.582 HB3 :: 2.833 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 113.121 Ave N Shift Values>> N :: 120.17(4.64) 1.P43 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.87 P 0.11 C Shift Assignments>> C :: 173.571 CA :: 61.477 CB :: 31.517 CG :: 24.474 CD :: 49.607 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.255 HB2 :: 1.591 HB3 :: 1.851 HG2 :: 0.970 HG3 :: 0.727(S) HD2 :: 2.892 HD3 :: 2.698 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) N Shift Assignments>> N :: 138.721 Ave N Shift Values>> N :: 134.16(6.62) 1.K44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.45 C 0.4 R 0.13 C Shift Assignments>> C :: 176.592 CA :: 55.063 CB :: 31.648 CG :: 23.948 CD :: 28.037 CE :: 41.280 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.767 HA :: 4.159 HB2 :: 1.570 HB3 :: 1.621 HG2 :: 1.306 HG3 :: 1.403 HD2 :: 1.589 HD3 :: 1.589 HE2 :: 2.920 HE3 :: 2.920 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 116.977 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.88 V 0.11 C Shift Assignments>> C :: 174.435 CA :: 58.381 CB :: 34.085 CG1 :: 21.701 CG2 :: 17.956 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.127 HA :: 4.406 HB :: 1.978 HG11 :: 0.680 HG12 :: 0.680 HG13 :: 0.680 HG21 :: 0.672 HG22 :: 0.672 HG23 :: 0.672 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 116.938 Ave N Shift Values>> N :: 121.14(4.54) 1.K46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.46 C 0.41 R 0.1 C Shift Assignments>> C :: 172.594 CA :: 53.383 CB :: 31.283 CG :: 23.940 CD :: 28.183 CE :: 41.140 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.863 HA :: 4.396 HB2 :: 1.452 HB3 :: 1.677 HG2 :: 1.301 HG3 :: 1.343 HD2 :: 1.525 HD3 :: 1.525 HE2 :: 2.806 HE3 :: 2.806 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 122.896 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.P47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.7 C 0.29 C Shift Assignments>> C :: 176.608 CA :: 63.159 CB :: 30.650 CG :: 27.024 CD :: 49.516 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.239 HB2 :: 1.749 HB3 :: 2.239 HG2 :: 2.044 HG3 :: 1.919 HD2 :: 3.471 HD3 :: 3.738 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) N Shift Assignments>> N :: 133.461 Ave N Shift Values>> N :: 134.16(6.62) 1.G48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.32 L 0.3 R 0.24 C 0.04 D 0.04 Y 0.02 C Shift Assignments>> C :: 172.916 CA :: 44.122 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.585 HA2 :: 3.539 HA3 :: 4.206 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.179 Ave N Shift Values>> N :: 109.67(3.87) 1.V49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.58 C 0.41 HN Overlap>> 1.I36 1.I36 1.N61 1.N61 C Shift Assignments>> C :: 173.875 CA :: 61.147 CB :: 31.780 CG1 :: 21.176 CG2 :: 20.794 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.545 HA :: 4.036 HB :: 1.983 HG11 :: 0.780 HG12 :: 0.780 HG13 :: 0.780 HG21 :: 0.490 HG22 :: 0.490 HG23 :: 0.490 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 121.312 Ave N Shift Values>> N :: 121.14(4.54) 1.N50 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> N 0.82 C 0.12 D 0.05 C Shift Assignments>> C :: 171.865 CA :: 52.193 CB :: 37.780 CG :: 176.405 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.216 HA :: 4.275 HB2 :: 0.692(S) HB3 :: 0.766(S) HD21 :: 6.025 HD22 :: 6.895 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 124.651 ND2 :: 114.181 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.59 C 0.24 L 0.15 C Shift Assignments>> C :: 174.585 CA :: 53.287 CB :: 46.262 CG :: 26.910 CD1 :: 23.441 CD2 :: 26.576 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.096 HA :: 5.213 HB2 :: 1.191 HB3 :: 1.639 HG :: 1.407 HD11 :: 0.861 HD12 :: 0.861 HD13 :: 0.861 HD21 :: 0.828 HD22 :: 0.828 HD23 :: 0.828 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.116 Ave N Shift Values>> N :: 121.86(3.9) 1.N52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.56 D 0.21 C 0.19 G 0.02 C Shift Assignments>> C :: 173.251 CA :: 51.886 CB :: 41.606 CG :: 174.997 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 9.387 HA :: 5.166 HB2 :: 2.909 HB3 :: 2.886 HD21 :: 7.611 HD22 :: 6.962 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 124.854 ND2 :: 110.856 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.C53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.31 D 0.29 R 0.13 K 0.09 N 0.05 C 0.04 Y 0.02 G 0.02 C Shift Assignments>> C :: 171.442 CA :: 52.930 CB :: 42.537 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.933 HA :: 5.847 HB2 :: 3.172 HB3 :: 3.366 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 122.521 Ave N Shift Values>> N :: 120.17(4.64) 1.C54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.73 L 0.17 C 0.03 R 0.02 D 0.02 C Shift Assignments>> C :: 173.402 CA :: 53.439 CB :: 45.084 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 9.383 HA :: 5.202 HB2 :: 3.558 HB3 :: 3.268 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 120.045 Ave N Shift Values>> N :: 120.17(4.64) 1.R55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.52 C 0.44 G 0.02 C Shift Assignments>> C :: 174.778 CA :: 56.073 CB :: 31.457 CG :: 26.198 CD :: 42.725 CZ :: 158.815 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.786 HA :: 5.002 HB2 :: 1.798 HB3 :: 2.194 HG2 :: 1.740 HG3 :: 1.561 HD2 :: 3.225 HD3 :: 3.225 HE :: 7.153 HH11 :: 6.777 HH12 :: 6.777 HH21 :: 6.777 HH22 :: 6.777 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 118.394 NE :: 84.589 NH1 :: 71.980 NH2 :: 71.560 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.T56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.76 C 0.23 C Shift Assignments>> C :: 172.583 CA :: 59.078 CB :: 70.956 CG2 :: 21.307 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.421 HA :: 4.690 HB :: 4.265 HG21 :: 1.140 HG22 :: 1.140 HG23 :: 1.140 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 110.430 Ave N Shift Values>> N :: 115.42(4.75) 1.D57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.6 N 0.24 C 0.15 C Shift Assignments>> C :: 176.660 CA :: 54.956 CB :: 40.615 CG :: 178.263 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.227 HA :: 4.669 HB2 :: 2.437 HB3 :: 2.385 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 119.012 Ave N Shift Values>> N :: 120.65(3.86) 1.R58 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.88 R 0.1 G 0.01 C Shift Assignments>> C :: 174.617 CA :: 57.402 CB :: 25.671 CG :: 27.722 CD :: 41.977 CZ :: 158.562 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 9.491 HA :: 3.243 HB2 :: 1.917 HB3 :: 2.082 HG2 :: 0.521(S) HG3 :: 1.197 HD2 :: 2.919 HD3 :: 3.103 HE :: 7.244 HH11 :: 6.777 HH12 :: 6.777 HH21 :: 6.777 HH22 :: 6.777 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 112.926 NE :: 83.453 NH1 :: 71.902 NH2 :: 71.489 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.C59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.31 G 0.26 R 0.25 C 0.07 D 0.04 Y 0.03 C Shift Assignments>> C :: 173.236 CA :: 56.422 CB :: 44.321 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.797 HA :: 4.456 HB2 :: 3.344 HB3 :: 3.778 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 113.341 Ave N Shift Values>> N :: 120.17(4.64) 1.N60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 N 0.38 Q 0.08 E 0.05 D 0.04 C Shift Assignments>> C :: 172.744 CA :: 52.040 CB :: 36.021 CG :: 178.957 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 9.079 HA :: 4.724 HB2 :: 2.826 HB3 :: 2.146 HD21 :: 8.238 HD22 :: 8.000 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 121.757 ND2 :: 117.590 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.N61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 N 0.42 D 0.04 HN Overlap>> 1.I36 1.V49 1.I36 1.V49 C Shift Assignments>> C :: 180.002 CA :: 55.872 CB :: 37.975 CG :: 175.240 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.485 HA :: 3.841 HB2 :: 2.336 HB3 :: 2.493 HD21 :: 7.270 HD22 :: 6.376 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 121.348 ND2 :: 111.889 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) ########################################################################### Overall Results: #Consistent: 56 #Clerical: 0 #Suspicious: 5 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 61 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 61 #Suspicious: 0 C Shift Results: #Consistent: 282 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 410 #Duplicate: 0 #Unknown: 0 #Suspicious: 6 #Anomalous: 0 N Shift Results: #Consistent: 83 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.K26 HA = 5.899(S), Expected = 4.27, Std = 0.4400, ChiSquare = 2.1368e-04 1.I35 HB = 0.048(S), Expected = 1.78, Std = 0.2900, ChiSquare = 2.3377e-09 1.P43 HG3 = 0.727(S), Expected = 1.90, Std = 0.3300, ChiSquare = 3.7863e-04 1.N50 HB2 = 0.692(S), Expected = 2.81, Std = 0.3100, ChiSquare = 8.3588e-12 1.N50 HB3 = 0.766(S), Expected = 2.75, Std = 0.3300, ChiSquare = 1.8311e-09 1.R58 HG2 = 0.521(S), Expected = 1.57, Std = 0.2700, ChiSquare = 1.0225e-04