Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.W3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S4 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H5 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P6 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.Q7 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.F8 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.E9 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.K10 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S11 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> CA :: 58.418 CB :: 63.764 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> HA :: 4.472 HB2 :: 3.859 HB3 :: 3.929 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) 1.D13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.33 L 0.23 N 0.11 K 0.1 F 0.1 Y 0.07 R 0.01 HN Overlap>> 1.I26 1.I26 C Shift Assignments>> C :: 175.757 CA :: 54.349 CB :: 41.093 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 :: 8.3 HA :: 4.631 HB2 :: 2.632 HB3 :: 2.709 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 :: 122.353 Ave N Shift Values>> N :: 120.65(3.86) 1.A14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.9 M 0.09 C Shift Assignments>> C :: 177.471 CA :: 52.423 CB :: 19.304 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.054 HA :: 4.347 HB1 :: 1.393 HB2 :: 1.393 HB3 :: 1.393 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.905 Ave N Shift Values>> N :: 123.23(3.54) 1.V15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 2.E20 2.E20 C Shift Assignments>> C :: 175.873 CA :: 61.751 CB :: 32.905 CG1 :: 21.42 CG2 :: 20.515 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 :: 8.109 HA :: 4.147 HB :: 2.072 HG11 :: 0.956 HG12 :: 0.956 HG13 :: 0.956 HG21 :: 0.956 HG22 :: 0.956 HG23 :: 0.956 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 :: 119.699 Ave N Shift Values>> N :: 121.14(4.54) 1.E16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.57 M 0.15 Q 0.12 K 0.12 I 0.01 C Shift Assignments>> C :: 174.759 CA :: 54.474 CB :: 29.998 CG :: 36.112 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 :: 8.588 HA :: 4.608 HB2 :: 1.944 HB3 :: 1.944 HG2 :: 2.296 HG3 :: 2.296 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 :: 126.859 Ave N Shift Values>> N :: 120.67(3.48) 1.P17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> CA :: 64.04 CB :: 32.256 CG :: 27.583 CD :: 50.932 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 :: 4.435 HB2 :: 2.378 HB3 :: 2.378 HG2 :: 2.047 HG3 :: 2.047 HD2 :: 3.935 HD3 :: 3.765 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) 1.S18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 176.404 CA :: 60.099 CB :: 62.597 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> HA :: 4.283 HB2 :: 3.96 HB3 :: 3.96 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) 1.V19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 176.72 CA :: 65.594 CB :: 31.112 CG1 :: 21.677 CG2 :: 20.851 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 :: 7.978 HA :: 3.542 HB :: 1.902 HG11 :: 0.788 HG12 :: 0.788 HG13 :: 0.788 HG21 :: 0.627 HG22 :: 0.627 HG23 :: 0.627 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 :: 123.158 Ave N Shift Values>> N :: 121.14(4.54) 1.E20 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.44 Q 0.33 R 0.08 M 0.05 E 0.03 I 0.02 P 0.01 HN Overlap>> 1.D54 1.D54 C Shift Assignments>> C :: 176.906 CA :: 59.803 CB :: 29.072 CG :: 33.176 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 :: 7.77 HA :: 2.595(S) HB2 :: 2.04 HB3 :: 2.04 HG2 :: 2.062 HG3 :: 2.062 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 :: 119.531 Ave N Shift Values>> N :: 120.67(3.48) 1.K21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.72 R 0.27 C Shift Assignments>> C :: 179.878 CA :: 59.021 CB :: 31.532 CG :: 24.897 CD :: 28.594 CE :: 41.909 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 :: 7.963 HA :: 3.872 HB2 :: 1.82 HB3 :: 1.82 HG2 :: 1.445 HG3 :: 1.445 HD2 :: 1.643 HD3 :: 1.643 HE2 :: 2.942 HE3 :: 2.942 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 :: 118.011 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.54 I 0.19 K 0.15 Q 0.08 M 0.02 HN Overlap>> 2.E20 2.E20 C Shift Assignments>> C :: 179.231 CA :: 58.46 CB :: 29.102 CG :: 36.169 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 :: 8.136 HA :: 4.181 HB2 :: 2.205 HB3 :: 2.205 HG2 :: 2.577 HG3 :: 2.577 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 :: 119.911 Ave N Shift Values>> N :: 120.67(3.48) 1.Y23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.95 W 0.04 C Shift Assignments>> C :: 178.913 CA :: 58.256 CB :: 36.492 CD1 :: 130.44 CD2 :: 130.44 CE1 :: 118.216 CE2 :: 118.216 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 :: 8.455 HA :: 4.461 HB2 :: 3.393 HB3 :: 2.98 HD1 :: 6.847 HD2 :: 6.847 HE1 :: 6.711 HE2 :: 6.711 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 :: 118.807 Ave N Shift Values>> N :: 120.52(4.2) 1.K24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.76 R 0.22 G 0.01 C Shift Assignments>> C :: 179.303 CA :: 60.378 CB :: 31.866 CG :: 25.926 CD :: 29.197 CE :: 41.836 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 :: 8.128 HA :: 4.036 HB2 :: 2.001 HB3 :: 2.001 HG2 :: 1.733 HG3 :: 1.733 HD2 :: 1.751 HD3 :: 1.751 HE2 :: 3.005 HE3 :: 3.005 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 :: 117.679 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.84 R 0.14 HN Overlap>> 2.K44 2.K44 C Shift Assignments>> C :: 180.272 CA :: 60 CB :: 33.425 CG :: 25.596 CD :: 28.941 CE :: 41.833 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 :: 7.822 HA :: 4.128 HB2 :: 2.163 HB3 :: 1.846 HG2 :: 1.483 HG3 :: 1.483 HD2 :: 1.751 HD3 :: 1.751 HE2 :: 2.894 HE3 :: 2.894 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 :: 120.802 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> 1.D13 1.D13 C Shift Assignments>> C :: 176.943 CA :: 66.519 CB :: 38.466 CG1 :: 31.723 CG2 :: 18.747 CD1 :: 14.727 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 :: 8.231 HA :: 3.773 HB :: 2.37 HG12 :: 1.07 HG13 :: 2.339 HG21 :: 1.139 HG22 :: 1.139 HG23 :: 1.139 HD11 :: 0.903 HD12 :: 0.903 HD13 :: 0.903 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 :: 122.351 Ave N Shift Values>> N :: 121.46(4.28) 1.I27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 177.187 CA :: 66.078 CB :: 38.891 CG1 :: 29.91 CG2 :: 17.54 CD1 :: 14.57 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 :: 8.223 HA :: 3.394 HB :: 1.895 HG12 :: 0.835 HG13 :: 1.74 HG21 :: 0.968 HG22 :: 0.968 HG23 :: 0.968 HD11 :: 0.895 HD12 :: 0.895 HD13 :: 0.895 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 :: 121.524 Ave N Shift Values>> N :: 121.46(4.28) 1.S28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.953 CA :: 62.18 CB :: 63.268 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.412 HA :: 4.34 HB2 :: 4.061 HB3 :: 4.061 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 :: 113.919 Ave N Shift Values>> N :: 116.28(3.52) 1.F29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.56 Y 0.43 C Shift Assignments>> C :: 176.417 CA :: 57.556 CB :: 38.555 CE1 :: 131.019 CE2 :: 131.019 CZ :: 128.701 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.149 HA :: 5.005 HB2 :: 3.451 HB3 :: 3.581 HD1 :: 7 HD2 :: 7 HE1 :: 6.06 HE2 :: 6.06 HZ :: 6.318 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 124.162 Ave N Shift Values>> N :: 120.45(4.18) 1.R30 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.9 K 0.08 C Shift Assignments>> C :: 179.297 CA :: 60.791 CB :: 27.033 CG :: 27 CD :: 40.012(S) 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 :: 8.273 HA :: 3.621 HB2 :: 2.393 HB3 :: 1.674 HG2 :: 1.409 HG3 :: 1.409 HD2 :: 2.755 HD3 :: 2.755 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 :: 120.243 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.D31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.36 F 0.35 I 0.16 L 0.05 D 0.04 N 0.01 C Shift Assignments>> C :: 177.118 CA :: 58.392 CB :: 39.47 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 :: 9.14 HA :: 4.25 HB2 :: 2.992 HB3 :: 2.813 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 :: 121.351 Ave N Shift Values>> N :: 120.65(3.86) 1.T32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 176.171 CA :: 67.552 CB :: 69.006 CG2 :: 21.78 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 :: 8.565 HA :: 3.948 HB :: 4.654 HG21 :: 1.343 HG22 :: 1.343 HG23 :: 1.343 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 :: 116.704 Ave N Shift Values>> N :: 115.42(4.75) 1.V33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 180.406 CA :: 66.031 CB :: 31.959 CG1 :: 24.544 CG2 :: 20.447 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 :: 8.255 HA :: 3.915 HB :: 1.948 HG11 :: 0.609 HG12 :: 0.609 HG13 :: 0.609 HG21 :: 0.277 HG22 :: 0.277 HG23 :: 0.277 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 :: 120.561 Ave N Shift Values>> N :: 121.14(4.54) 1.F34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.65 Y 0.14 F 0.09 V 0.05 E 0.04 C Shift Assignments>> C :: 176.011 CA :: 62.185 CB :: 37.013 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.964 HA :: 3.805 HB2 :: 2.269 HB3 :: 2.269 HD1 :: 7.104 HD2 :: 7.104 HE1 :: 7.172 HE2 :: 7.172 HZ :: 7.283 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 119.19 Ave N Shift Values>> N :: 120.45(4.18) 1.E35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.71 I 0.11 M 0.11 K 0.03 C Shift Assignments>> C :: 177.632 CA :: 56.853 CB :: 30.295 CG :: 37.452 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 :: 8.061 HA :: 4.382 HB2 :: 2.218 HB3 :: 2.218 HG2 :: 2.447 HG3 :: 2.756 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 :: 115.583 Ave N Shift Values>> N :: 120.67(3.48) 1.G36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.92 L 0.06 C Shift Assignments>> C :: 176.018 CA :: 46.205 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.02 HA2 :: 4.215 HA3 :: 4.088 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.473 Ave N Shift Values>> N :: 109.67(3.87) 1.K37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.71 R 0.27 G 0.01 C Shift Assignments>> C :: 175.598 CA :: 55.724 CB :: 34.071 CG :: 25.464 CD :: 29.108 CE :: 42.169 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 :: 7.909 HA :: 4.435 HB2 :: 1.819 HB3 :: 2.173 HG2 :: 1.354 HG3 :: 1.354 HD2 :: 1.735 HD3 :: 1.735 HE2 :: 3.011 HE3 :: 3.011 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 :: 117.137 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.H38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.53 W 0.4 Y 0.06 C Shift Assignments>> C :: 175.692 CA :: 58.205 CB :: 33.823 CD2 :: 117.931 CE1 :: 139.562 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 :: 8.998 HA :: 4.367 HB2 :: 2.701 HB3 :: 3.72 HD2 :: 7.273 HE1 :: 7.805 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 :: 125.44 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.Q39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.39 K 0.37 E 0.11 R 0.05 M 0.04 I 0.01 C Shift Assignments>> C :: 176.319 CA :: 57.847 CB :: 29.029 CG :: 33.928 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 :: 8.358 HA :: 4.004 HB2 :: 1.853 HB3 :: 1.987 HG2 :: 2.303 HG3 :: 2.303 HE21 :: 6.793 HE22 :: 7.426 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 :: 123.472 NE2 :: 112.436 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Q40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.44 Q 0.36 K 0.11 E 0.06 C Shift Assignments>> C :: 175.425 CA :: 56.468 CB :: 31.135 CG :: 33.483 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 :: 9.88 HA :: 4.286 HB2 :: 1.628 HB3 :: 1.4 HG2 :: 1.687 HG3 :: 1.927 HE21 :: 6.797 HE22 :: 7.238 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 :: 120.095 NE2 :: 111.916 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.F41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.54 Y 0.45 C Shift Assignments>> C :: 173.007 CA :: 57.259 CB :: 39.79 CD1 :: 131.325 CD2 :: 131.325 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 7.815 HA :: 4.631 HB2 :: 2.642 HB3 :: 2.306 HD1 :: 6.588 HD2 :: 6.588 HE1 :: 7.212 HE2 :: 7.212 HZ :: 7.297 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 119.961 Ave N Shift Values>> N :: 120.45(4.18) 1.L42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.83 G 0.08 R 0.04 A 0.03 C Shift Assignments>> C :: 176.823 CA :: 53.821 CB :: 43.05 CG :: 27.293 CD1 :: 23.638 CD2 :: 24.687 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 :: 8.083 HA :: 4.568 HB2 :: 1.541 HB3 :: 1.541 HG :: 1.532 HD11 :: 0.799 HD12 :: 0.799 HD13 :: 0.799 HD21 :: 0.81 HD22 :: 0.81 HD23 :: 0.81 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 :: 124.025 Ave N Shift Values>> N :: 121.86(3.9) 1.V43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.95 A 0.04 C Shift Assignments>> C :: 173.89 CA :: 58.408 CB :: 32.908 CG1 :: 20.133 CG2 :: 21.61 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 :: 8.391 HA :: 4.492 HB :: 1.768 HG11 :: 0.471 HG12 :: 0.471 HG13 :: 0.471 HG21 :: 0.461 HG22 :: 0.461 HG23 :: 0.461 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 :: 118.69 Ave N Shift Values>> N :: 121.14(4.54) 1.P44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> CA :: 63.973 CB :: 32.261 CG :: 27.523 CD :: 50.994 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 :: 4.403 HB2 :: 2.378 HB3 :: 1.942 HG2 :: 2.113 HG3 :: 2.113 HD2 :: 3.979 HD3 :: 3.402 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) 1.N45 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.N46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> E 0.33 Y 0.2 F 0.13 N 0.1 M 0.1 I 0.04 K 0.02 D 0.01 C Shift Assignments>> C :: 177.287 CA :: 56.265 CB :: 36.97 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>> HA :: 4.413 HB2 :: 2.862 HB3 :: 2.862 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) 1.V47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 177.444 CA :: 65.4 CB :: 32.115 CG1 :: 22.038 CG2 :: 21.448 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 :: 7.201 HA :: 3.792 HB :: 2.092 HG11 :: 1.043 HG12 :: 1.043 HG13 :: 1.043 HG21 :: 0.989 HG22 :: 0.989 HG23 :: 0.989 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 :: 122.001 Ave N Shift Values>> N :: 121.14(4.54) 1.R48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.76 K 0.14 G 0.09 C Shift Assignments>> C :: 178.115 CA :: 59.364 CB :: 30.505 CG :: 27.664 CD :: 43.143 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 :: 7.883 HA :: 4.322 HB2 :: 1.824 HB3 :: 1.824 HG2 :: 1.51 HG3 :: 1.51 HD2 :: 3.283 HD3 :: 3.283 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 :: 122.418 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.L49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.93 R 0.05 G 0.01 C Shift Assignments>> C :: 179.407 CA :: 57.794 CB :: 41.887 CG :: 26.832 CD1 :: 25.199 CD2 :: 22.953 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 :: 8.3 HA :: 4.081 HB2 :: 1.787 HB3 :: 1.787 HG :: 1.796 HD11 :: 0.897 HD12 :: 0.897 HD13 :: 0.897 HD21 :: 0.887 HD22 :: 0.887 HD23 :: 0.887 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 :: 117.146 Ave N Shift Values>> N :: 121.86(3.9) 1.K50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.81 R 0.16 G 0.01 HN Overlap>> 2.E10 2.E10 C Shift Assignments>> C :: 177.678 CA :: 59.122 CB :: 32.469 CG :: 25.119 CD :: 29.287 CE :: 42.115 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 :: 7.52 HA :: 4.001 HB2 :: 1.885 HB3 :: 1.885 HG2 :: 1.372 HG3 :: 1.372 HD2 :: 1.668 HD3 :: 1.668 HE2 :: 2.989 HE3 :: 2.989 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 :: 119.447 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.F51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.35 Y 0.31 F 0.29 L 0.01 HN Overlap>> 1.D54 1.D54 C Shift Assignments>> C :: 177.248 CA :: 60.134 CB :: 39.291 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 7.958 HA :: 4.359 HB2 :: 3.358 HB3 :: 3.152 HD1 :: 7.112 HD2 :: 7.112 HE1 :: 6.864 HE2 :: 6.864 HZ :: 7.049 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 119.535 Ave N Shift Values>> N :: 120.45(4.18) 1.L52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.86 R 0.09 G 0.01 A 0.01 C Shift Assignments>> C :: 178.602 CA :: 56.631 CB :: 42.217 CG :: 26.776 CD1 :: 25.606 CD2 :: 23.101 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 :: 8.101 HA :: 3.964 HB2 :: 1.848 HB3 :: 1.564 HG :: 2.005 HD11 :: 0.979 HD12 :: 0.979 HD13 :: 0.979 HD21 :: 0.956 HD22 :: 0.956 HD23 :: 0.956 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 :: 118.457 Ave N Shift Values>> N :: 121.86(3.9) 1.R53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.79 G 0.15 K 0.04 C Shift Assignments>> C :: 176.878 CA :: 57.593 CB :: 30.701 CG :: 27.047 CD :: 43.617 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 :: 7.782 HA :: 4.179 HB2 :: 1.889 HB3 :: 1.889 HG2 :: 1.723 HG3 :: 1.723 HD2 :: 3.189 HD3 :: 3.189 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 :: 118.845 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.D54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.34 L 0.22 N 0.13 F 0.11 Y 0.09 K 0.08 HN Overlap>> 1.F51 1.E20 1.F51 1.E20 C Shift Assignments>> C :: 175.333 CA :: 54.47 CB :: 40.858 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 :: 7.857 HA :: 4.648 HB2 :: 2.747 HB3 :: 2.572 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 :: 119.527 Ave N Shift Values>> N :: 120.65(3.86) 1.R55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.75 K 0.13 G 0.1 C Shift Assignments>> C :: 180.887 CA :: 57.714 CB :: 30.864 CG :: 26.481 CD :: 43.362 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 :: 7.43 HA :: 3.938 HB2 :: 1.584 HB3 :: 1.62 HG2 :: 1.447 HG3 :: 1.447 HD2 :: 2.901 HD3 :: 2.901 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 :: 125.526 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 2.G1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.A2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.M3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.G4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.87 L 0.09 R 0.01 C Shift Assignments>> C :: 174.241 CA :: 45.335 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> HA2 :: 4.041 HA3 :: 4.041 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) 2.T5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> CA :: 61.339 CB :: 70.204 CG2 :: 21.257 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 :: 8.077 HA :: 4.458 HB :: 4.332 HG21 :: 1.232 HG22 :: 1.232 HG23 :: 1.232 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 :: 113.511 Ave N Shift Values>> N :: 115.42(4.75) 2.T6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> CA :: 61.71 CB :: 69.866 CG2 :: 21.065 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 :: 8.38 HA :: 4.484 HB :: 4.353 HG21 :: 1.269 HG22 :: 1.269 HG23 :: 1.269 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 :: 116.477 Ave N Shift Values>> N :: 115.42(4.75) 2.N7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.38 D 0.18 Y 0.16 F 0.15 L 0.06 E 0.01 I 0.01 M 0.01 C Shift Assignments>> C :: 175.829 CA :: 54.636 CB :: 38.682 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 :: 9.38 HA :: 4.792 HB2 :: 3.055 HB3 :: 3.055 HD21 :: 7.078 HD22 :: 8.15 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 :: 122.364 ND2 :: 113.979 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 2.Q8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.49 I 0.27 K 0.13 Q 0.07 M 0.01 C Shift Assignments>> C :: 179.313 CA :: 59.641 CB :: 29.225 CG :: 35.978 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 :: 8.399 HA :: 4.009 HB2 :: 2.072 HB3 :: 2.072 HG2 :: 2.35 HG3 :: 2.433 HE21 :: 6.964 HE22 :: 7.574 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 :: 121.536 NE2 :: 111.681 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 2.K9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.85 R 0.14 C Shift Assignments>> C :: 179.574 CA :: 59.539 CB :: 32.098 CG :: 25.226 CD :: 29.223 CE :: 41.902 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 :: 7.661 HA :: 4.011 HB2 :: 2.013 HB3 :: 2.013 HG2 :: 1.583 HG3 :: 1.434 HD2 :: 1.74 HD3 :: 1.74 HE2 :: 3.017 HE3 :: 3.017 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 :: 117.711 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.E10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.44 K 0.2 Q 0.16 I 0.15 M 0.01 R 0.01 HN Overlap>> 1.K50 1.K50 C Shift Assignments>> C :: 179.314 CA :: 58.585 CB :: 28.754 CG :: 35.639 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 :: 7.505 HA :: 4.049 HB2 :: 2.083 HB3 :: 2.083 HG2 :: 2.435 HG3 :: 2.435 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 :: 119.38 Ave N Shift Values>> N :: 120.67(3.48) 2.A11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.63 A 0.32 I 0.04 C Shift Assignments>> C :: 178.686 CA :: 55.276 CB :: 17.723 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.259 HA :: 3.985 HB1 :: 1.225 HB2 :: 1.225 HB3 :: 1.225 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.343 Ave N Shift Values>> N :: 123.23(3.54) 2.E12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.56 E 0.38 K 0.02 M 0.01 HN Overlap>> 2.L43 2.L43 C Shift Assignments>> C :: 178.281 CA :: 60.17 CB :: 29.895 CG :: 37.517 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 :: 8.185 HA :: 3.671 HB2 :: 2.167 HB3 :: 1.99 HG2 :: 1.992 HG3 :: 2.384 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 :: 118.374 Ave N Shift Values>> N :: 120.67(3.48) 2.K13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.87 R 0.12 C Shift Assignments>> C :: 178.25 CA :: 59.237 CB :: 32.096 CG :: 24.478 CD :: 29.327 CE :: 41.812 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 :: 7.608 HA :: 3.924 HB2 :: 1.845 HB3 :: 1.845 HG2 :: 1.444 HG3 :: 1.23 HD2 :: 1.65 HD3 :: 1.65 HE2 :: 2.851 HE3 :: 2.851 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 :: 119.146 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.A14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.55 M 0.4 I 0.02 C Shift Assignments>> C :: 179.383 CA :: 54.997 CB :: 18.864 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.245 HA :: 4.209 HB1 :: 1.424 HB2 :: 1.424 HB3 :: 1.424 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.813 Ave N Shift Values>> N :: 123.23(3.54) 2.V15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 177.253 CA :: 67.827 CB :: 31.022 CG1 :: 24.633 CG2 :: 22.936 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 :: 8.422 HA :: 3.637 HB :: 2.063 HG11 :: 1.11 HG12 :: 1.11 HG13 :: 1.11 HG21 :: 0.539 HG22 :: 0.539 HG23 :: 0.539 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 :: 117.738 Ave N Shift Values>> N :: 121.14(4.54) 2.S16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.01 CA :: 62.681 CB :: 63.653 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.716 HA :: 3.99 HB2 :: 3.937 HB3 :: 3.937 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 :: 114.616 Ave N Shift Values>> N :: 116.28(3.52) 2.Q17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.52 I 0.29 K 0.11 Q 0.04 M 0.01 C Shift Assignments>> C :: 179.156 CA :: 59.068 CB :: 28.993 CG :: 36.399 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 :: 8.377 HA :: 4.044 HB2 :: 2.13 HB3 :: 2.13 HG2 :: 2.442 HG3 :: 2.587 HE21 :: 6.584 HE22 :: 7.105 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 :: 121.045 NE2 :: 108.833 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 2.L18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.88 R 0.08 A 0.01 C Shift Assignments>> C :: 178.744 CA :: 57.116 CB :: 41.276 CG :: 26.994 CD1 :: 26.823 CD2 :: 22.823 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 :: 8.377 HA :: 3.906 HB2 :: 2.084 HB3 :: 0.735 HG :: 1.51 HD11 :: 0.357 HD12 :: 0.357 HD13 :: 0.357 HD21 :: 0.098 HD22 :: 0.098 HD23 :: 0.098 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 :: 118.352 Ave N Shift Values>> N :: 121.86(3.9) 2.F19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.4 F 0.28 Y 0.28 L 0.01 C Shift Assignments>> C :: 181.241 CA :: 60.784 CB :: 39.769 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 9.142 HA :: 4.75 HB2 :: 3.181 HB3 :: 2.959 HD1 :: 7.137 HD2 :: 7.137 HE1 :: 7.467 HE2 :: 7.467 HZ :: 7.328 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 122.82 Ave N Shift Values>> N :: 120.45(4.18) 2.E20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.57 I 0.3 K 0.06 M 0.03 Q 0.02 HN Overlap>> 1.E22 1.V15 1.E22 1.V15 C Shift Assignments>> C :: 178.14 CA :: 59.585 CB :: 29.821 CG :: 36.661 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 :: 8.104 HA :: 4.187 HB2 :: 2.338 HB3 :: 2.338 HG2 :: 2.431 HG3 :: 2.589 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 :: 119.804 Ave N Shift Values>> N :: 120.67(3.48) 2.V21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 175.404 CA :: 61.455 CB :: 30.964 CG1 :: 21.577 CG2 :: 19.843 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 :: 7.34 HA :: 4.486 HB :: 2.517 HG11 :: 0.949 HG12 :: 0.949 HG13 :: 0.949 HG21 :: 0.847 HG22 :: 0.847 HG23 :: 0.847 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 :: 110.573 Ave N Shift Values>> N :: 121.14(4.54) 2.G22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.7 L 0.18 R 0.06 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> C :: 173.635 CA :: 44.819 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.449 HA2 :: 4.459 HA3 :: 3.358 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.353 Ave N Shift Values>> N :: 109.67(3.87) 2.V23 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 175.658 CA :: 63.515 CB :: 30.222 CG1 :: 23.197 CG2 :: 20.049 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 :: 7.514 HA :: 3.294 HB :: 1.191 HG11 :: 0.232 HG12 :: 0.232 HG13 :: 0.232 HG21 :: -0.389(S) HG22 :: -0.389(S) HG23 :: -0.389(S) 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 :: 123.686 Ave N Shift Values>> N :: 121.14(4.54) 2.R24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.62 K 0.3 G 0.06 C Shift Assignments>> C :: 177.73 CA :: 52.632 CB :: 32.062 CG :: 26.516 CD :: 42.481 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 :: 9.693 HA :: 5.249 HB2 :: 1.945 HB3 :: 2.351 HG2 :: 1.507 HG3 :: 1.507 HD2 :: 3.366 HD3 :: 3.118 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 :: 128.407 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 2.F25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.79 F 0.1 Y 0.09 C Shift Assignments>> C :: 177.678 CA :: 63.903 CB :: 39.988 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 9.465 HA :: 3.782 HB2 :: 3.02 HB3 :: 2.956 HD1 :: 6.417 HD2 :: 6.417 HE1 :: 6.891 HE2 :: 6.891 HZ :: 6.934 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 122.679 Ave N Shift Values>> N :: 120.45(4.18) 2.N26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.26 F 0.19 N 0.17 E 0.16 D 0.05 M 0.05 I 0.04 L 0.02 C Shift Assignments>> C :: 177.992 CA :: 55.987 CB :: 37.714 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 :: 9.447 HA :: 4.398 HB2 :: 2.879 HB3 :: 2.879 HD21 :: 6.989 HD22 :: 7.716 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 :: 114.143 ND2 :: 112.129 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 2.D27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.27 L 0.2 F 0.16 Y 0.12 R 0.11 D 0.09 I 0.01 C Shift Assignments>> C :: 179.283 CA :: 57.252 CB :: 41.99 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 :: 7.987 HA :: 4.586 HB2 :: 2.715 HB3 :: 3.147 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 :: 119.873 Ave N Shift Values>> N :: 120.65(3.86) 2.F28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.61 F 0.19 Y 0.19 C Shift Assignments>> C :: 177.757 CA :: 62.141 CB :: 39.549 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 7.701 HA :: 3.873 HB2 :: 2.641 HB3 :: 3.23 HD1 :: 7.477 HE1 :: 7.326 HZ :: 7.373 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 117.023 Ave N Shift Values>> N :: 120.45(4.18) 2.I29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 180.887 CA :: 63.195 CB :: 36.151 CG1 :: 28.11 CG2 :: 17.609 CD1 :: 11.643 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 :: 7.08 HA :: 3.919 HB :: 2.037 HG12 :: 1.318 HG13 :: 1.16 HG21 :: 0.907 HG22 :: 0.907 HG23 :: 0.907 HD11 :: 0.517 HD12 :: 0.517 HD13 :: 0.517 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 :: 118.317 Ave N Shift Values>> N :: 121.46(4.28) 2.A30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.49 M 0.47 I 0.02 C Shift Assignments>> C :: 178.72 CA :: 54.734 CB :: 18.202 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.997 HA :: 4.163 HB1 :: 1.623 HB2 :: 1.623 HB3 :: 1.623 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.773 Ave N Shift Values>> N :: 123.23(3.54) 2.E31 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> Q 0.41 K 0.35 E 0.1 M 0.08 R 0.03 C Shift Assignments>> C :: 176.655 CA :: 55.694 CB :: 29.364 CG :: 33.929 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 :: 7.061 HA :: 4.022 HB2 :: 1.744 HB3 :: 1.457 HG2 :: 1.076(S) HG3 :: 1.336(S) 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 :: 116.621 Ave N Shift Values>> N :: 120.67(3.48) 2.G32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.82 L 0.12 R 0.02 F 0.01 C Shift Assignments>> C :: 174.153 CA :: 45.145 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.944 HA2 :: 4.212 HA3 :: 3.73 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.146 Ave N Shift Values>> N :: 109.67(3.87) 2.I33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.98 M 0.01 C Shift Assignments>> C :: 175.077 CA :: 60.523 CB :: 37.582 CG1 :: 29.663 CG2 :: 18.863 CD1 :: 14.146 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 :: 7.157 HA :: 4.12 HB :: 1.409 HG12 :: 1.174 HG13 :: 1.496 HG21 :: 1.071 HG22 :: 1.071 HG23 :: 1.071 HD11 :: 0.949 HD12 :: 0.949 HD13 :: 0.949 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 :: 122.193 Ave N Shift Values>> N :: 121.46(4.28) 2.E34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.5 M 0.21 Q 0.16 K 0.1 C Shift Assignments>> C :: 176.234 CA :: 54.86 CB :: 30.35 CG :: 35.807 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 :: 8.744 HA :: 4.326 HB2 :: 1.942 HB3 :: 1.942 HG2 :: 2.374 HG3 :: 2.374 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 :: 131.625 Ave N Shift Values>> N :: 120.67(3.48) 2.P35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> CA :: 65.595 CB :: 32.301 CG :: 27.428 CD :: 51.393 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 :: 3.921 HB2 :: 1.935 HB3 :: 2.38 HG2 :: 2.219 HG3 :: 2.219 HD2 :: 3.932 HD3 :: 3.932 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) 2.S36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.25 I 0.24 V 0.23 P 0.09 F 0.03 Y 0.03 S 0.03 W 0.02 C Shift Assignments>> C :: 177.473 CA :: 61.943 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.946 HA :: 4.288 HB2 :: 4.009 HB3 :: 4.009 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 :: 112.781 Ave N Shift Values>> N :: 116.28(3.52) 2.V37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 177.689 CA :: 65.712 CB :: 31.957 CG1 :: 23.171 CG2 :: 21.063 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 :: 7.21 HA :: 3.876 HB :: 2.139 HG11 :: 0.999 HG12 :: 0.999 HG13 :: 0.999 HG21 :: 0.945 HG22 :: 0.945 HG23 :: 0.945 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 :: 123.707 Ave N Shift Values>> N :: 121.14(4.54) 2.V38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 177.688 CA :: 67.045 CB :: 31.109 CG1 :: 23.455 CG2 :: 23.394 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 :: 7.328 HA :: 3.27 HB :: 1.74 HG11 :: 0.656 HG12 :: 0.656 HG13 :: 0.656 HG21 :: 0.661 HG22 :: 0.661 HG23 :: 0.661 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 :: 119.055 Ave N Shift Values>> N :: 121.14(4.54) 2.H39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.64 H 0.35 C Shift Assignments>> C :: 177.21 CA :: 60.985 CB :: 30.747 CD2 :: 120.067 CE1 :: 138.464 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 :: 9.109 HA :: 4.249 HB2 :: 2.775 HB3 :: 2.775 HD2 :: 7.019 HE1 :: 7.828 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 :: 118.766 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 2.T40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 176.95 CA :: 67.261 CB :: 68.922 CG2 :: 21.737 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 :: 7.933 HA :: 3.855 HB :: 4.426 HG21 :: 1.339 HG22 :: 1.339 HG23 :: 1.339 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 :: 114.237 Ave N Shift Values>> N :: 115.42(4.75) 2.L41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.57 K 0.4 G 0.01 C Shift Assignments>> C :: 177.897 CA :: 58.234 CB :: 41.848 CD1 :: 27.097 CD2 :: 23.441 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 :: 7.861 HA :: 4.115 HB2 :: 1.261 HB3 :: 2.102 HD11 :: 0.855 HD12 :: 0.855 HD13 :: 0.855 HD21 :: 0.862 HD22 :: 0.862 HD23 :: 0.862 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 :: 121.5 Ave N Shift Values>> N :: 121.86(3.9) 2.F42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.69 Y 0.15 F 0.11 E 0.01 V 0.01 C Shift Assignments>> C :: 178.676 CA :: 62.339 CB :: 37.815 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 9.036 HA :: 3.808 HB2 :: 3.492 HB3 :: 2.88 HD1 :: 7.159 HD2 :: 7.159 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 120.98 Ave N Shift Values>> N :: 120.45(4.18) 2.L43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.96 R 0.01 HN Overlap>> 2.E12 2.E12 C Shift Assignments>> C :: 180.813 CA :: 57.879 CB :: 41.879 CG :: 26.805 CD1 :: 24.539 CD2 :: 23.665 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 :: 8.244 HA :: 4.107 HB2 :: 1.507 HB3 :: 1.683 HG :: 1.49 HD11 :: 0.727 HD12 :: 0.727 HD13 :: 0.727 HD21 :: 0.814 HD22 :: 0.814 HD23 :: 0.814 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 :: 118.343 Ave N Shift Values>> N :: 121.86(3.9) 2.K44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.8 R 0.18 HN Overlap>> 1.K25 1.K25 C Shift Assignments>> C :: 178.469 CA :: 59.08 CB :: 32.406 CG :: 24.814 CD :: 28.861 CE :: 41.942 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 :: 7.922 HA :: 3.975 HB2 :: 1.874 HB3 :: 1.982 HG2 :: 1.427 HG3 :: 1.427 HD2 :: 1.534 HD3 :: 1.534 HE2 :: 2.918 HE3 :: 2.918 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 :: 120.849 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.L45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.59 R 0.17 A 0.14 G 0.09 C Shift Assignments>> C :: 176.916 CA :: 54.671 CB :: 43.123 CG :: 27.225 CD1 :: 22.306 CD2 :: 25.545 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 :: 7.708 HA :: 4.14 HB2 :: 1.49 HB3 :: 1.327 HG :: 1.653 HD11 :: 0.762 HD12 :: 0.762 HD13 :: 0.762 HD21 :: 0.726 HD22 :: 0.726 HD23 :: 0.726 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 :: 116.67 Ave N Shift Values>> N :: 121.86(3.9) 2.G46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.92 L 0.06 C Shift Assignments>> C :: 174.71 CA :: 46.507 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.739 HA2 :: 3.858 HA3 :: 3.858 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.518 Ave N Shift Values>> N :: 109.67(3.87) 2.L47 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> A 0.83 L 0.13 G 0.03 C Shift Assignments>> C :: 176.337 CA :: 53.538 CB :: 42.509 CG :: 24.985 CD1 :: 24.343 CD2 :: 20.255 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 :: 7.941 HA :: 4.012 HB2 :: 0.354(S) HB3 :: 0.861 HG :: 0.913 HD11 :: -0.276(S) HD12 :: -0.276(S) HD13 :: -0.276(S) HD21 :: -0.193 HD22 :: -0.193 HD23 :: -0.193 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 :: 119.683 Ave N Shift Values>> N :: 121.86(3.9) 2.D48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.28 D 0.24 K 0.18 R 0.09 F 0.08 Y 0.05 N 0.03 C Shift Assignments>> C :: 174.904 CA :: 54.746 CB :: 42.034 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 :: 8.143 HA :: 4.66 HB2 :: 2.651 HB3 :: 2.749 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 :: 121.116 Ave N Shift Values>> N :: 120.65(3.86) 2.S49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.97 T 0.02 C Shift Assignments>> CA :: 59.724 CB :: 65.239 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.925 HA :: 4.318 HB2 :: 3.558 HB3 :: 3.629 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 :: 121.005 Ave N Shift Values>> N :: 116.28(3.52) ########################################################################### Overall Results: #Consistent: 99 #Clerical: 0 #Suspicious: 5 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 89 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 15 Shift Relative Order (SRO) Results: #Consistent: 104 #Suspicious: 0 C Shift Results: #Consistent: 378 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 H Shift Results: #Consistent: 640 #Duplicate: 0 #Unknown: 0 #Suspicious: 10 #Anomalous: 0 N Shift Results: #Consistent: 88 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.E20 HA = 2.595(S), Expected = 4.25, Std = 0.4100, ChiSquare = 5.4235e-05 1.R30 CD = 40.012(S), Expected = 43.16, Std = 0.8800, ChiSquare = 3.4720e-04 2.V23 HG21 = -0.389(S), Expected = 0.80, Std = 0.2800, ChiSquare = 2.1720e-05 2.V23 HG22 = -0.389(S), Expected = 0.80, Std = 0.2800, ChiSquare = 2.1720e-05 2.V23 HG23 = -0.389(S), Expected = 0.80, Std = 0.2800, ChiSquare = 2.1720e-05 2.E31 HG2 = 1.076(S), Expected = 2.27, Std = 0.2100, ChiSquare = 1.3027e-08 2.E31 HG3 = 1.336(S), Expected = 2.25, Std = 0.2200, ChiSquare = 3.2593e-05 2.L47 HB2 = 0.354(S), Expected = 1.61, Std = 0.3400, ChiSquare = 2.2065e-04 2.L47 HD11 = -0.276(S), Expected = 0.75, Std = 0.2800, ChiSquare = 2.4803e-04 2.L47 HD12 = -0.276(S), Expected = 0.75, Std = 0.2800, ChiSquare = 2.4803e-04 2.L47 HD13 = -0.276(S), Expected = 0.75, Std = 0.2800, ChiSquare = 2.4803e-04