Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.A4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> A 0.83 M 0.13 C 0.01 C Shift Assignments>> C :: 177.555 CA :: 52.915 CB :: 19.061 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> HA :: 4.239 HB1 :: 1.284 HB2 :: 1.284 HB3 :: 1.284 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) 1.Y5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.29 F 0.24 C 0.19 I 0.14 E 0.04 D 0.02 L 0.01 N 0.01 M 0.01 C Shift Assignments>> C :: 175.713 CA :: 58.161 CB :: 38.461 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 :: 8.036 HA :: 4.479 HB2 :: 2.952 HB3 :: 2.977 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 :: 119.047 Ave N Shift Values>> N :: 120.52(4.2) 1.R6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.49 C 0.37 G 0.06 K 0.05 C Shift Assignments>> C :: 175.761 CA :: 55.945 CB :: 30.844 CG :: 27.081 CD :: 43.296 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 :: 8.006 HA :: 4.239 HB2 :: 1.664 HB3 :: 1.754 HG2 :: 1.504 HG3 :: 1.504 HD2 :: 3.116 HD3 :: 3.116 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 :: 123.087 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.K7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.46 C 0.4 R 0.12 HN Overlap>> 1.V16 1.V16 C Shift Assignments>> C :: 176.553 CA :: 56.539 CB :: 32.914 CG :: 24.843 CD :: 29.121 CE :: 42.201 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 :: 8.230 HA :: 4.224 HB2 :: 1.704 HB3 :: 1.804 HG2 :: 1.420 HG3 :: 1.420 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 :: 122.863 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.19 M 0.18 C 0.17 Q 0.15 R 0.08 H 0.07 W 0.05 E 0.04 V 0.02 C Shift Assignments>> C :: 177.032 CA :: 56.627 CB :: 32.999 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 :: 8.388 HA :: 4.289 HB2 :: 1.755 HB3 :: 1.804 HG2 :: 1.420 HG3 :: 1.420 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 :: 122.994 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.83 L 0.1 C 0.02 R 0.01 F 0.01 C Shift Assignments>> CA :: 45.274 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.484 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.439 Ave N Shift Values>> N :: 109.67(3.87) 1.K10 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G11 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.K12 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> G 0.85 L 0.08 C 0.02 R 0.01 C Shift Assignments>> C :: 174.321 CA :: 45.376 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) 1.T14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 HN Overlap>> 1.T87 1.T87 C Shift Assignments>> C :: 174.907 CA :: 61.779 CB :: 69.938 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 :: 8.171 HA :: 4.249 HG21 :: 1.210 HG22 :: 1.210 HG23 :: 1.210 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 :: 113.864 Ave N Shift Values>> N :: 115.42(4.75) 1.T15 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 :: 174.684 CA :: 61.926 CB :: 69.807 CG2 :: 21.726 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 :: 8.304 HA :: 4.420 HB :: 4.241 HG21 :: 1.192 HG22 :: 1.192 HG23 :: 1.192 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 :: 116.881 Ave N Shift Values>> N :: 115.42(4.75) 1.V16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.7 C 0.29 HN Overlap>> 1.K7 1.K7 C Shift Assignments>> C :: 176.649 CA :: 62.713 CB :: 32.730 CG1 :: 20.998 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 :: 8.236 HA :: 4.108 HB :: 2.062 HG11 :: 0.934 HG12 :: 0.934 HG13 :: 0.934 HG21 :: 0.941 HG22 :: 0.941 HG23 :: 0.941 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 :: 122.850 Ave N Shift Values>> N :: 121.14(4.54) 1.G17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.85 L 0.08 C 0.02 C Shift Assignments>> C :: 174.231 CA :: 45.397 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.537 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.524 Ave N Shift Values>> N :: 109.67(3.87) 1.M18 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G19 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.K20 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S21 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S22 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.R23 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.R24 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.F25 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.I26 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.N27 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.M28 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.Y29 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G30 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.F31 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.D32 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P33 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.T34 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.E35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.14 W 0.14 H 0.14 R 0.13 Q 0.12 C 0.12 K 0.09 M 0.05 I 0.01 HN Overlap>> 1.L83 1.L83 C Shift Assignments>> C :: 175.796 CA :: 57.133 CB :: 30.026 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 :: 7.693 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 :: 118.148 Ave N Shift Values>> N :: 120.67(3.48) 1.Y36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.49 C 0.31 F 0.19 C Shift Assignments>> C :: 173.730 CA :: 58.913 CB :: 38.698 CD1 :: 133.568 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 :: 7.877 HD1 :: 6.936 HD2 :: 6.936 HE1 :: 6.743 HE2 :: 6.743 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 :: 118.373 Ave N Shift Values>> N :: 120.52(4.2) 1.S37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.933 CA :: 60.509 CB :: 64.118 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.289 HA :: 4.721 HB2 :: 3.787 HB3 :: 4.184 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 :: 114.503 Ave N Shift Values>> N :: 116.28(3.52) 1.F38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.28 F 0.25 C 0.16 D 0.08 I 0.07 N 0.06 L 0.04 E 0.02 C Shift Assignments>> CA :: 56.951 CB :: 38.876 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 :: 8.015 HB2 :: 3.003 HB3 :: 3.306 HD1 :: 6.898 HD2 :: 6.898 HE1 :: 6.800 HE2 :: 6.800 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 :: 115.979 Ave N Shift Values>> N :: 120.45(4.18) 1.I39 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.55 I 0.43 C Shift Assignments>> C :: 174.063 CA :: 59.690 CB :: 40.546 CG1 :: 26.758 CG2 :: 16.472 CD1 :: 15.985 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 :: 9.107 HA :: 4.070 HB :: 0.855 HG21 :: -0.955(S) HG22 :: -0.955(S) HG23 :: -0.955(S) HD11 :: 0.532 HD12 :: 0.532 HD13 :: 0.532 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 :: 118.147 Ave N Shift Values>> N :: 121.46(4.28) 1.Q40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.31 C 0.26 Q 0.22 K 0.18 R 0.01 C Shift Assignments>> C :: 174.834 CA :: 53.888 CB :: 30.433 CG :: 32.499 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 :: 8.925 HA :: 4.917 HB2 :: 2.157 HB3 :: 1.851 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 :: 127.893 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>> Y 0.55 C 0.22 F 0.22 C Shift Assignments>> C :: 176.475 CA :: 57.728 CB :: 41.388 CE1 :: 132.960 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 :: 9.855 HA :: 5.508 HB2 :: 3.274 HB3 :: 3.274 HD1 :: 7.087 HD2 :: 7.087 HE1 :: 6.917 HE2 :: 6.917 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 :: 126.317 Ave N Shift Values>> N :: 120.45(4.18) 1.V42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.73 V 0.26 C Shift Assignments>> C :: 173.926 CA :: 61.136 CB :: 36.937 CG1 :: 20.869 CG2 :: 20.584 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 :: 9.693 HA :: 4.972 HB :: 2.219 HG11 :: 0.976 HG12 :: 0.976 HG13 :: 0.976 HG21 :: 0.836 HG22 :: 0.836 HG23 :: 0.836 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 :: 121.896 Ave N Shift Values>> N :: 121.14(4.54) 1.D43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.46 D 0.28 C 0.1 L 0.07 F 0.02 G 0.02 Y 0.01 C Shift Assignments>> C :: 175.261 CA :: 49.400 CB :: 40.389 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 :: 8.290 HA :: 4.770 HB2 :: 2.564 HB3 :: 2.564 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 :: 126.767 Ave N Shift Values>> N :: 120.65(3.86) 1.P44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> P 0.44 V 0.39 C 0.12 W 0.01 I 0.01 C Shift Assignments>> C :: 178.152 CA :: 63.699 CB :: 32.048 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) 1.L45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.51 C 0.4 R 0.07 G 0.01 C Shift Assignments>> C :: 177.432 CA :: 57.331 CB :: 42.200 CG :: 27.018 CD1 :: 23.203 CD2 :: 25.456 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 :: 7.944 HA :: 4.216 HB2 :: 1.827 HB3 :: 1.827 HD11 :: 0.903 HD12 :: 0.903 HD13 :: 0.903 HD21 :: 0.807 HD22 :: 0.807 HD23 :: 0.807 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 :: 118.896 Ave N Shift Values>> N :: 121.86(3.9) 1.T46 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 :: 176.120 CA :: 61.109 CB :: 70.628 CG2 :: 23.208 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 :: 6.664 HA :: 4.158 HB :: 4.341 HG21 :: 1.128 HG22 :: 1.128 HG23 :: 1.128 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 :: 103.263 Ave N Shift Values>> N :: 115.42(4.75) 1.G47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.82 L 0.1 C 0.02 R 0.01 F 0.01 C Shift Assignments>> C :: 173.898 CA :: 45.253 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.832 HA2 :: 4.187 HA3 :: 3.599 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.386 Ave N Shift Values>> N :: 109.67(3.87) 1.A48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.85 M 0.09 C 0.02 L 0.01 C Shift Assignments>> C :: 175.207 CA :: 53.112 CB :: 19.665 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.985 HA :: 4.290 HB1 :: 1.551 HB2 :: 1.551 HB3 :: 1.551 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.064 Ave N Shift Values>> N :: 123.23(3.54) 1.Q49 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> M 0.5 C 0.29 Q 0.14 E 0.05 C Shift Assignments>> C :: 176.284 CA :: 54.115 CB :: 32.291 CG :: 34.184 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 :: 8.308 HA :: 6.017(S) HB2 :: 2.239 HB3 :: 2.239 HG2 :: 2.597 HG3 :: 2.411 HE21 :: 7.688 HE22 :: 6.646 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 :: 116.040 NE2 :: 110.393 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.I50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 G 0.31 I 0.17 C Shift Assignments>> C :: 174.168 CA :: 61.331 CB :: 43.998 CG1 :: 28.137 CG2 :: 17.746 CD1 :: 14.588 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 :: 9.177 HA :: 4.258 HB :: 1.335 HG12 :: 0.872 HG13 :: 0.872 HG21 :: 0.782 HG22 :: 0.782 HG23 :: 0.782 HD11 :: 0.006 HD12 :: 0.006 HD13 :: 0.006 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 :: 122.883 Ave N Shift Values>> N :: 121.46(4.28) 1.E51 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.41 E 0.37 M 0.17 K 0.01 Q 0.01 C Shift Assignments>> C :: 175.819 CA :: 54.866 CB :: 31.023 CG :: 36.997 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 :: 8.793 HA :: 5.648(S) HB2 :: 1.959 HB3 :: 1.768 HG2 :: 2.340 HG3 :: 2.340 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 :: 128.206 Ave N Shift Values>> N :: 120.67(3.48) 1.E52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.16 N 0.13 A 0.1 L 0.1 M 0.08 H 0.06 Q 0.05 R 0.05 C 0.04 K 0.04 W 0.03 E 0.02 F 0.02 Y 0.02 C Shift Assignments>> C :: 174.928 CA :: 54.304 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 :: 9.421 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 :: 127.088 Ave N Shift Values>> N :: 120.67(3.48) 1.N53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.32 D 0.3 L 0.11 F 0.08 Y 0.07 C 0.07 C Shift Assignments>> C :: 175.122 CA :: 53.521 CB :: 39.913 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 :: 9.091 HA :: 4.801 HB2 :: 3.155 HB3 :: 2.821 HD21 :: 7.913 HD22 :: 7.113 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 :: 117.398 ND2 :: 114.745 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.V54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.61 V 0.38 C Shift Assignments>> C :: 175.501 CA :: 64.064 CB :: 31.329 CG1 :: 18.159 CG2 :: 20.996 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 :: 7.995 HB :: 2.049 HG11 :: 0.439 HG12 :: 0.439 HG13 :: 0.439 HG21 :: 0.785 HG22 :: 0.785 HG23 :: 0.785 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 :: 110.705 Ave N Shift Values>> N :: 121.14(4.54) 1.Y55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.56 C 0.42 C Shift Assignments>> C :: 175.455 CA :: 56.401 CB :: 36.822 CD1 :: 133.013 CD2 :: 133.013 CE1 :: 117.986 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 :: 7.791 HA :: 4.632 HB2 :: 3.267 HB3 :: 2.808 HD1 :: 6.909 HD2 :: 6.909 HE1 :: 6.732 HE2 :: 6.732 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 :: 117.023 Ave N Shift Values>> N :: 120.52(4.2) 1.A56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.84 M 0.11 C 0.02 C Shift Assignments>> C :: 176.491 CA :: 53.034 CB :: 19.372 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.403 HA :: 4.084 HB1 :: 1.454 HB2 :: 1.454 HB3 :: 1.454 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.693 Ave N Shift Values>> N :: 123.23(3.54) 1.D57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.35 L 0.22 N 0.13 K 0.09 F 0.06 C 0.05 Y 0.04 R 0.01 C Shift Assignments>> C :: 177.566 CA :: 53.286 CB :: 41.370 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 :: 8.721 HA :: 4.683 HB2 :: 2.961 HB3 :: 2.636 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 :: 121.188 Ave N Shift Values>> N :: 120.65(3.86) 1.I58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.67 C 0.32 C Shift Assignments>> C :: 176.708 CA :: 62.031 CB :: 37.901 CG1 :: 28.684 CG2 :: 18.968 CD1 :: 13.478 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 :: 8.566 HA :: 3.711 HB :: 1.922 HG12 :: 1.452 HG13 :: 1.402 HG21 :: 0.984 HG22 :: 0.984 HG23 :: 0.984 HD11 :: 0.862 HD12 :: 0.862 HD13 :: 0.862 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 :: 127.139 Ave N Shift Values>> N :: 121.46(4.28) 1.R59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 R 0.37 K 0.11 L 0.01 HN Overlap>> 1.K117 1.K117 C Shift Assignments>> C :: 179.047 CA :: 59.199 CB :: 29.278 CG :: 27.057 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 :: 8.407 HA :: 4.098 HB2 :: 1.856 HB3 :: 1.856 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 :: 121.634 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.D60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.19 L 0.18 K 0.17 Y 0.15 D 0.14 C 0.08 I 0.02 R 0.02 N 0.01 C Shift Assignments>> C :: 177.990 CA :: 56.831 CB :: 41.185 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 :: 7.385 HA :: 4.368 HB2 :: 2.773 HB3 :: 2.773 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 :: 119.374 Ave N Shift Values>> N :: 120.65(3.86) 1.I61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 I 0.44 C Shift Assignments>> C :: 177.148 CA :: 62.414 CB :: 35.477 CG1 :: 26.305 CG2 :: 17.312 CD1 :: 10.818 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 :: 7.122 HA :: 3.135 HB :: 1.673 HG12 :: 1.031 HG13 :: 1.031 HG21 :: -0.080 HG22 :: -0.080 HG23 :: -0.080 HD11 :: 0.154 HD12 :: 0.154 HD13 :: 0.154 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 :: 119.301 Ave N Shift Values>> N :: 121.46(4.28) 1.Q62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 K 0.28 Q 0.14 M 0.06 R 0.05 P 0.01 C Shift Assignments>> C :: 179.133 CA :: 59.809 CB :: 29.295 CG :: 32.521 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 :: 8.256 HA :: 3.904 HB2 :: 2.177 HB3 :: 2.099 HG2 :: 1.906 HG3 :: 1.906 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 :: 117.616 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.E63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 E 0.32 I 0.19 K 0.07 Q 0.03 M 0.01 HN Overlap>> 1.K123 1.L112 1.R64 1.K123 1.L112 1.R64 C Shift Assignments>> C :: 179.426 CA :: 59.649 CB :: 29.249 CG :: 36.165 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 :: 8.070 HA :: 4.054 HB2 :: 2.143 HB3 :: 2.143 HG2 :: 2.357 HG3 :: 2.357 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 :: 120.678 Ave N Shift Values>> N :: 120.67(3.48) 1.R64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.21 W 0.17 E 0.12 R 0.1 H 0.09 V 0.07 Q 0.06 K 0.05 I 0.04 M 0.03 HN Overlap>> 1.E63 1.K123 1.L112 1.E63 1.K123 1.L112 C Shift Assignments>> C :: 180.955 CA :: 59.783 CB :: 30.556 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 :: 8.052 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 :: 120.587 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.F65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.24 Y 0.23 I 0.18 F 0.16 E 0.12 M 0.02 C Shift Assignments>> C :: 180.369 CA :: 58.897 CB :: 37.540 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 :: 8.481 HD1 :: 7.092 HD2 :: 7.092 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 :: 118.339 Ave N Shift Values>> N :: 120.45(4.18) 1.S66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.25 T 0.24 I 0.19 P 0.14 C 0.05 F 0.02 Y 0.02 S 0.01 W 0.01 C Shift Assignments>> C :: 176.474 CA :: 62.452 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.774 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 :: 118.914 Ave N Shift Values>> N :: 116.28(3.52) 1.E67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 E 0.33 I 0.16 K 0.07 Q 0.04 M 0.01 C Shift Assignments>> C :: 179.160 CA :: 59.484 CB :: 29.397 CG :: 36.131 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 :: 7.941 HA :: 4.097 HB2 :: 2.245 HB3 :: 2.197 HG2 :: 2.439 HG3 :: 2.378 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 :: 121.836 Ave N Shift Values>> N :: 120.67(3.48) 1.V68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.93 C 0.06 C Shift Assignments>> C :: 178.701 CA :: 66.498 CB :: 31.985 CG1 :: 21.806 CG2 :: 21.852 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 :: 7.436 HA :: 3.743 HB :: 2.225 HG11 :: 1.042 HG12 :: 1.042 HG13 :: 1.042 HG21 :: 1.169 HG22 :: 1.169 HG23 :: 1.169 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 :: 119.649 Ave N Shift Values>> N :: 121.14(4.54) 1.R69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.24 W 0.16 V 0.11 I 0.09 E 0.08 R 0.07 H 0.06 Q 0.04 P 0.03 K 0.03 M 0.01 C Shift Assignments>> C :: 177.810 CA :: 60.763 CB :: 30.328 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 :: 8.050 HA :: 3.768 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 :: 118.463 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.K70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 K 0.44 R 0.07 C Shift Assignments>> C :: 178.880 CA :: 59.846 CB :: 32.449 CG :: 25.195 CD :: 29.297 CE :: 41.995 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 :: 8.242 HA :: 3.916 HB2 :: 1.892 HB3 :: 1.892 HG2 :: 1.529 HG3 :: 1.529 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 :: 117.821 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 K 0.42 R 0.12 C Shift Assignments>> C :: 178.848 CA :: 58.700 CB :: 32.221 CG :: 24.958 CD :: 29.012 CE :: 42.127 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 :: 7.683 HA :: 4.136 HB2 :: 1.997 HB3 :: 1.966 HG2 :: 1.608 HG3 :: 1.516 HD2 :: 1.719 HD3 :: 1.719 HE2 :: 2.992 HE3 :: 2.992 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 :: 118.710 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.M72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.25 K 0.16 V 0.13 Q 0.11 M 0.1 W 0.06 R 0.06 H 0.05 E 0.03 C Shift Assignments>> C :: 178.529 CA :: 59.136 CB :: 33.148 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.067 HA :: 4.352 HB2 :: 2.874 HB3 :: 2.652 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 118.070 Ave N Shift Values>> N :: 120.09(3.57) 1.V73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.85 C 0.14 C Shift Assignments>> C :: 179.450 CA :: 64.863 CB :: 31.890 CG1 :: 21.777 CG2 :: 22.478 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 :: 8.239 HA :: 4.197 HB :: 2.230 HG11 :: 1.010 HG12 :: 1.010 HG13 :: 1.010 HG21 :: 0.993 HG22 :: 0.993 HG23 :: 0.993 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 :: 120.545 Ave N Shift Values>> N :: 121.14(4.54) 1.E74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 E 0.36 I 0.16 K 0.06 Q 0.02 M 0.01 C Shift Assignments>> C :: 177.293 CA :: 58.735 CB :: 29.302 CG :: 36.615 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 :: 8.244 HA :: 4.111 HB2 :: 2.128 HB3 :: 2.128 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 :: 122.118 Ave N Shift Values>> N :: 120.67(3.48) 1.N75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.44 D 0.23 C 0.08 F 0.07 Y 0.07 L 0.07 C Shift Assignments>> C :: 174.403 CA :: 53.283 CB :: 39.274 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 :: 7.867 HA :: 4.743 HB2 :: 2.954 HB3 :: 2.729 HD21 :: 8.003 HD22 :: 6.898 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 :: 116.161 ND2 :: 113.980 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.D76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.23 F 0.19 Y 0.17 L 0.14 N 0.11 C 0.1 I 0.02 K 0.01 C Shift Assignments>> C :: 175.464 CA :: 55.688 CB :: 40.026 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 :: 8.178 HA :: 4.503 HB2 :: 2.954 HB3 :: 2.739 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 :: 116.833 Ave N Shift Values>> N :: 120.65(3.86) 1.D77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.25 K 0.2 R 0.16 D 0.13 F 0.1 Y 0.06 C 0.05 C Shift Assignments>> C :: 176.543 CA :: 56.086 CB :: 42.359 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 :: 8.477 HA :: 4.648 HB2 :: 2.748 HB3 :: 2.574 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 :: 118.015 Ave N Shift Values>> N :: 120.65(3.86) 1.I78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.6 C 0.39 C Shift Assignments>> C :: 174.998 CA :: 60.179 CB :: 41.000 CG1 :: 27.039 CG2 :: 17.673 CD1 :: 13.618 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 :: 7.439 HA :: 4.270 HB :: 1.694 HG12 :: 1.356 HG13 :: 1.017 HG21 :: 0.835 HG22 :: 0.835 HG23 :: 0.835 HD11 :: 0.799 HD12 :: 0.799 HD13 :: 0.799 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 :: 116.303 Ave N Shift Values>> N :: 121.46(4.28) 1.E79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.4 C 0.33 M 0.11 Q 0.06 K 0.05 I 0.02 HN Overlap>> 1.L131 1.L131 C Shift Assignments>> C :: 177.550 CA :: 56.344 CB :: 30.376 CG :: 36.221 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 :: 8.438 HA :: 4.270 HB2 :: 2.156 HB3 :: 1.969 HG2 :: 2.306 HG3 :: 2.306 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 :: 122.653 Ave N Shift Values>> N :: 120.67(3.48) 1.M80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.15 E 0.15 C 0.14 R 0.14 H 0.13 Q 0.11 K 0.06 M 0.06 V 0.01 I 0.01 C Shift Assignments>> C :: 178.604 CA :: 57.755 CB :: 30.350 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.780 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 122.151 Ave N Shift Values>> N :: 120.09(3.57) 1.Q81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 Q 0.26 K 0.24 R 0.11 E 0.03 M 0.02 I 0.01 C Shift Assignments>> C :: 176.993 CA :: 57.764 CB :: 28.069 CG :: 33.596 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 :: 8.764 HA :: 4.157 HB2 :: 2.096 HB3 :: 2.096 HG2 :: 2.390 HG3 :: 2.390 HE21 :: 7.572 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 :: 118.345 NE2 :: 112.355 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.A82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.74 M 0.22 C 0.01 C Shift Assignments>> C :: 179.186 CA :: 53.500 CB :: 18.745 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.875 HA :: 4.219 HB1 :: 1.474 HB2 :: 1.474 HB3 :: 1.474 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.072 Ave N Shift Values>> N :: 123.23(3.54) 1.L83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.51 C 0.45 R 0.02 HN Overlap>> 1.E35 1.E35 C Shift Assignments>> C :: 178.791 CA :: 57.393 CB :: 41.137 CG :: 27.499 CD1 :: 23.955 CD2 :: 25.533 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 :: 7.737 HA :: 4.037 HB2 :: 1.775 HB3 :: 1.632 HG :: 1.769 HD11 :: 0.822 HD12 :: 0.822 HD13 :: 0.822 HD21 :: 0.922 HD22 :: 0.922 HD23 :: 0.922 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 :: 118.191 Ave N Shift Values>> N :: 121.86(3.9) 1.G84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.07 C 0.03 C Shift Assignments>> CA :: 45.915 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.999 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.187 Ave N Shift Values>> N :: 109.67(3.87) 1.S85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 173.988 CA :: 58.495 CB :: 63.842 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) 1.N86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.41 D 0.25 L 0.08 F 0.08 C 0.07 Y 0.07 C Shift Assignments>> C :: 174.457 CA :: 53.340 CB :: 39.503 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 :: 7.866 HA :: 4.992 HB2 :: 2.802 HB3 :: 2.725 HD21 :: 7.999 HD22 :: 7.124 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 :: 121.268 ND2 :: 115.682 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.T87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.87 C 0.12 HN Overlap>> 1.T14 1.T14 C Shift Assignments>> C :: 173.729 CA :: 61.409 CB :: 69.275 CG2 :: 21.841 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 :: 8.207 HB :: 4.381 HG21 :: 1.122 HG22 :: 1.122 HG23 :: 1.122 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 :: 113.770 Ave N Shift Values>> N :: 115.42(4.75) 1.T88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.92 C 0.07 C Shift Assignments>> C :: 173.841 CA :: 62.963 CB :: 70.237 CG2 :: 21.912 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 :: 7.788 HA :: 4.789 HB :: 3.877 HG21 :: 1.025 HG22 :: 1.025 HG23 :: 1.025 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 :: 119.061 Ave N Shift Values>> N :: 115.42(4.75) 1.I89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.53 C 0.45 C Shift Assignments>> C :: 174.456 CA :: 59.634 CB :: 41.372 CG1 :: 27.490 CG2 :: 17.922 CD1 :: 12.994 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 :: 8.782 HA :: 4.353 HB :: 1.809 HG12 :: 1.140 HG13 :: 1.424 HG21 :: 0.970 HG22 :: 0.970 HG23 :: 0.970 HD11 :: 0.761 HD12 :: 0.761 HD13 :: 0.761 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 :: 122.795 Ave N Shift Values>> N :: 121.46(4.28) 1.H90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.38 C 0.37 W 0.23 HN Overlap>> 1.D141 1.D141 C Shift Assignments>> C :: 173.784 CA :: 53.714 CB :: 33.593 CD2 :: 120.534 CE1 :: 137.279 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 :: 8.747 HA :: 5.471 HB2 :: 2.464 HB3 :: 3.179 HD2 :: 7.196 HE1 :: 8.248 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 :: 123.143 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.A91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.84 L 0.08 C 0.05 C Shift Assignments>> C :: 174.269 CA :: 50.536 CB :: 21.449 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.119 HA :: 4.626 HB1 :: 0.967 HB2 :: 0.967 HB3 :: 0.967 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.616 Ave N Shift Values>> N :: 123.23(3.54) 1.Y92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.23 F 0.2 C 0.17 N 0.14 D 0.09 L 0.04 I 0.04 E 0.03 M 0.01 C Shift Assignments>> C :: 174.898 CA :: 56.045 CB :: 38.513 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 :: 8.540 HA :: 5.060 HB2 :: 2.105 HB3 :: 3.100 HD1 :: 6.846 HD2 :: 6.846 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 :: 119.969 Ave N Shift Values>> N :: 120.52(4.2) 1.F93 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.24 Y 0.23 I 0.16 F 0.16 E 0.13 M 0.02 C Shift Assignments>> C :: 175.220 CA :: 58.759 CB :: 37.544 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 :: 9.733 HA :: 3.916 HB2 :: 1.595(S) HB3 :: 2.254 HD1 :: 6.753 HD2 :: 6.753 HE1 :: 6.811 HE2 :: 6.811 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 :: 126.632 Ave N Shift Values>> N :: 120.45(4.18) 1.R94 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.K95 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.D96 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.W97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.74 W 0.25 C Shift Assignments>> C :: 175.169 CA :: 56.592 CB :: 28.302 CD1 :: 127.554 CE3 :: 120.904 CZ2 :: 114.887 CZ3 :: 124.955 CH2 :: 122.457 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>> HA :: 4.751 HB2 :: 3.477 HB3 :: 3.377 HD1 :: 7.233 HE1 :: 10.334 HE3 :: 7.674 HZ2 :: 7.499 HZ3 :: 7.238 HH2 :: 7.233 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>> NE1 :: 130.408 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.S98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 T 0.01 C Shift Assignments>> C :: 174.319 CA :: 56.654 CB :: 65.501 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.204 HB2 :: 3.524 HB3 :: 3.345 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 :: 113.415 Ave N Shift Values>> N :: 116.28(3.52) 1.D99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 N 0.21 L 0.15 F 0.11 Y 0.09 C 0.07 K 0.02 C Shift Assignments>> C :: 175.109 CA :: 54.236 CB :: 40.229 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 :: 8.591 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 :: 126.022 Ave N Shift Values>> N :: 120.65(3.86) 1.K100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 K 0.36 A 0.02 Q 0.01 HN Overlap>> 1.V138 1.V138 C Shift Assignments>> C :: 175.978 CA :: 53.870 CB :: 35.132 CG :: 24.107 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 :: 8.280 HA :: 5.197 HB2 :: 1.687 HB3 :: 1.687 HG2 :: 1.399 HG3 :: 1.435 HE2 :: 2.833 HE3 :: 2.890 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 :: 119.783 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.4 C 0.22 P 0.2 A 0.08 K 0.06 C Shift Assignments>> C :: 174.691 CA :: 49.973 CB :: 24.033 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.388 HA :: 4.975 HB1 :: 1.165 HB2 :: 1.165 HB3 :: 1.165 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.255 Ave N Shift Values>> N :: 123.23(3.54) 1.L102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.52 G 0.29 C 0.15 A 0.02 C Shift Assignments>> C :: 174.768 CA :: 53.558 CB :: 44.338 CG :: 26.663 CD1 :: 23.954 CD2 :: 23.741 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 :: 8.203 HA :: 4.868 HB2 :: 1.163 HB3 :: 1.163 HG :: 0.987 HD11 :: 0.033 HD12 :: 0.033 HD13 :: 0.033 HD21 :: 0.251 HD22 :: 0.251 HD23 :: 0.251 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 :: 121.613 Ave N Shift Values>> N :: 121.86(3.9) 1.K103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.22 C 0.21 Q 0.16 E 0.14 K 0.12 Y 0.02 H 0.02 N 0.02 R 0.01 F 0.01 W 0.01 C Shift Assignments>> C :: 175.840 CA :: 55.274 CB :: 35.004 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 :: 9.421 HA :: 4.835 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 :: 127.726 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.88 I 0.09 A 0.01 HN Overlap>> 1.D105 1.D105 C Shift Assignments>> C :: 173.461 CA :: 59.179 CB :: 41.042 CG1 :: 27.406 CG2 :: 18.082 CD1 :: 18.024 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 :: 8.978 HA :: 4.551 HB :: 1.972 HG21 :: 0.864 HG22 :: 0.864 HG23 :: 0.864 HD11 :: 0.864 HD12 :: 0.864 HD13 :: 0.864 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 :: 124.840 Ave N Shift Values>> N :: 121.46(4.28) 1.D105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.34 L 0.24 N 0.11 K 0.1 F 0.06 C 0.04 Y 0.04 R 0.02 HN Overlap>> 1.I104 1.I104 C Shift Assignments>> C :: 175.059 CA :: 53.326 CB :: 41.521 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 :: 8.923 HA :: 5.198 HB2 :: 2.869 HB3 :: 2.349 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 :: 124.911 Ave N Shift Values>> N :: 120.65(3.86) 1.L106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.49 L 0.31 C 0.17 A 0.01 C Shift Assignments>> C :: 175.233 CA :: 53.290 CB :: 44.610 CD1 :: 26.720 CD2 :: 24.131 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 :: 9.176 HA :: 5.016 HD11 :: 1.028 HD12 :: 1.028 HD13 :: 1.028 HD21 :: 0.854 HD22 :: 0.854 HD23 :: 0.854 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 :: 122.260 Ave N Shift Values>> N :: 121.86(3.9) 1.M107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.41 C 0.35 E 0.16 Q 0.05 C Shift Assignments>> C :: 173.967 CA :: 53.305 CB :: 35.712 CG :: 32.082 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.629 HA :: 5.161 HB2 :: 2.104 HB3 :: 1.932 HG2 :: 2.427 HG3 :: 2.427 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 119.478 Ave N Shift Values>> N :: 120.09(3.57) 1.P108 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> W 0.5 H 0.48 Y 0.01 C Shift Assignments>> CD2 :: 120.517 CE1 :: 138.446 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>> HD2 :: 6.949 HE1 :: 7.766 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) 1.N110 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 8.365 HA :: 4.931 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 :: 120.223 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.P111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.75 C 0.24 C Shift Assignments>> C :: 176.783 CA :: 63.356 CB :: 32.173 CG :: 27.186 CD :: 50.595 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 :: 4.298 HB2 :: 2.224 HB3 :: 2.224 HG2 :: 1.924 HG3 :: 1.924 HD2 :: 3.666 HD3 :: 3.467 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.L112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.64 C 0.28 R 0.04 A 0.02 HN Overlap>> 1.E63 1.K123 1.E63 1.K123 1.R64 1.R64 C Shift Assignments>> C :: 177.207 CA :: 55.142 CB :: 42.041 CG :: 27.047 CD1 :: 23.408 CD2 :: 25.142 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 :: 8.088 HA :: 4.266 HB2 :: 1.535 HB3 :: 1.634 HD11 :: 0.844 HD12 :: 0.844 HD13 :: 0.844 HD21 :: 0.909 HD22 :: 0.909 HD23 :: 0.909 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 :: 120.610 Ave N Shift Values>> N :: 121.86(3.9) 1.K113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.54 C 0.45 C Shift Assignments>> C :: 176.370 CA :: 56.214 CB :: 32.906 CG :: 24.728 CD :: 29.055 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 :: 8.077 HA :: 4.297 HB2 :: 1.808 HB3 :: 1.808 HG2 :: 1.374 HG3 :: 1.374 HD2 :: 1.698 HD3 :: 1.698 HE2 :: 2.696 HE3 :: 2.696 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 :: 121.856 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.68 C 0.31 HN Overlap>> 1.V150 1.V150 C Shift Assignments>> C :: 175.935 CA :: 62.401 CB :: 32.721 CG1 :: 21.136 CG2 :: 20.800 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 :: 8.146 HA :: 4.091 HB :: 2.069 HG11 :: 0.914 HG12 :: 0.914 HG13 :: 0.914 HG21 :: 0.911 HG22 :: 0.911 HG23 :: 0.911 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 :: 121.430 Ave N Shift Values>> N :: 121.14(4.54) 1.C115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.15 R 0.14 E 0.14 W 0.13 Q 0.12 C 0.12 M 0.07 K 0.07 C Shift Assignments>> CA :: 56.538 CB :: 30.292 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.399 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 :: 123.323 Ave N Shift Values>> N :: 120.17(4.64) 1.D116 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 8.392 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 :: 123.727 Ave N Shift Values>> N :: 120.65(3.86) 1.K117 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent HN Overlap>> 1.R59 1.R59 H Shift Assignments>> H :: 8.411 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 :: 121.693 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.T118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> CA :: 62.219 CB :: 70.144 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 :: 8.286 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 :: 114.578 Ave N Shift Values>> N :: 115.42(4.75) 1.N119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.28 L 0.22 F 0.11 K 0.11 Y 0.09 N 0.08 C 0.06 R 0.01 C Shift Assignments>> C :: 175.551 CA :: 54.921 CB :: 41.094 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 :: 8.025 HB2 :: 2.821 HB3 :: 2.840 HD21 :: 7.626 HD22 :: 6.896 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 :: 126.184 ND2 :: 112.150 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.G120 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 :: 173.940 CA :: 45.508 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.302 HA2 :: 3.923 HA3 :: 3.937 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.812 Ave N Shift Values>> N :: 109.67(3.87) 1.I121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.67 C 0.32 C Shift Assignments>> C :: 175.951 CA :: 61.029 CB :: 38.642 CG1 :: 27.248 CG2 :: 17.575 CD1 :: 13.062 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 :: 7.935 HA :: 4.136 HB :: 1.836 HG12 :: 1.142 HG13 :: 1.421 HG21 :: 0.874 HG22 :: 0.874 HG23 :: 0.874 HD11 :: 0.838 HD12 :: 0.838 HD13 :: 0.838 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 :: 119.935 Ave N Shift Values>> N :: 121.46(4.28) 1.A122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.88 M 0.08 C 0.01 C Shift Assignments>> C :: 177.023 CA :: 52.425 CB :: 19.332 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.317 HA :: 4.280 HB1 :: 1.294 HB2 :: 1.294 HB3 :: 1.294 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 127.822 Ave N Shift Values>> N :: 123.23(3.54) 1.K123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.5 C 0.4 R 0.08 HN Overlap>> 1.E63 1.E63 1.L112 1.R64 1.L112 1.R64 C Shift Assignments>> C :: 175.846 CA :: 56.130 CB :: 33.361 CG :: 24.722 CD :: 29.053 CE :: 42.003 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 :: 8.118 HA :: 4.189 HB2 :: 1.608 HB3 :: 1.608 HG2 :: 1.213 HG3 :: 1.213 HD2 :: 1.595 HD3 :: 1.595 HE2 :: 2.940 HE3 :: 2.940 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 :: 120.578 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.F124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.39 F 0.38 C 0.21 C Shift Assignments>> C :: 173.906 CA :: 55.758 CB :: 39.061 CD1 :: 132.106 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 :: 8.266 HB2 :: 3.119 HB3 :: 2.889 HD1 :: 7.272 HD2 :: 7.272 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 :: 121.064 Ave N Shift Values>> N :: 120.45(4.18) 1.P125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.77 C 0.22 C Shift Assignments>> C :: 177.008 CA :: 63.494 CB :: 32.009 CG :: 27.429 CD :: 50.662 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 :: 4.389 HB2 :: 2.269 HB3 :: 2.269 HG2 :: 1.924 HG3 :: 1.964 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.E126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.4 C 0.35 K 0.07 I 0.06 M 0.04 Q 0.04 C Shift Assignments>> C :: 176.772 CA :: 57.339 CB :: 29.801 CG :: 36.452 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 :: 8.702 HA :: 4.216 HB2 :: 1.954 HB3 :: 2.024 HG2 :: 2.308 HG3 :: 2.308 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 :: 121.053 Ave N Shift Values>> N :: 120.67(3.48) 1.R127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.48 C 0.38 G 0.06 K 0.06 C Shift Assignments>> C :: 176.065 CA :: 56.302 CB :: 30.910 CG :: 27.159 CD :: 43.344 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 :: 8.198 HA :: 4.335 HB2 :: 1.785 HB3 :: 1.785 HG2 :: 1.602 HG3 :: 1.602 HD2 :: 3.168 HD3 :: 3.168 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 :: 120.330 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.E128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.41 C 0.34 M 0.09 K 0.06 Q 0.05 I 0.02 C Shift Assignments>> C :: 176.144 CA :: 56.476 CB :: 30.191 CG :: 36.329 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 :: 8.330 HA :: 4.280 HB2 :: 1.891 HB3 :: 2.059 HG2 :: 2.231 HG3 :: 2.231 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 :: 120.817 Ave N Shift Values>> N :: 120.67(3.48) 1.L129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.62 C 0.26 R 0.07 G 0.02 A 0.01 C Shift Assignments>> C :: 176.613 CA :: 54.981 CB :: 42.554 CG :: 27.048 CD1 :: 23.661 CD2 :: 25.315 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 :: 8.142 HA :: 4.372 HB2 :: 1.483 HB3 :: 1.483 HD11 :: 0.815 HD12 :: 0.815 HD13 :: 0.815 HD21 :: 0.879 HD22 :: 0.879 HD23 :: 0.879 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 :: 122.198 Ave N Shift Values>> N :: 121.86(3.9) 1.E130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 E 0.33 M 0.25 Q 0.02 C Shift Assignments>> C :: 175.803 CA :: 55.646 CB :: 31.675 CG :: 36.398 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 :: 8.519 HA :: 4.498 HB2 :: 1.925 HB3 :: 1.925 HG2 :: 2.238 HG3 :: 2.238 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 :: 121.912 Ave N Shift Values>> N :: 120.67(3.48) 1.L131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.5 C 0.23 G 0.12 R 0.08 A 0.05 HN Overlap>> 1.E79 1.E79 C Shift Assignments>> CA :: 54.508 CB :: 43.586 CG :: 26.976 CD1 :: 22.990 CD2 :: 25.529 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 :: 8.442 HA :: 4.504 HD11 :: 0.652 HD12 :: 0.652 HD13 :: 0.652 HD21 :: 0.774 HD22 :: 0.774 HD23 :: 0.774 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 :: 122.664 Ave N Shift Values>> N :: 121.86(3.9) 1.R132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.24 Q 0.22 C 0.17 K 0.16 H 0.05 R 0.05 W 0.02 E 0.02 C Shift Assignments>> CA :: 54.940 CB :: 33.847 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 :: 8.584 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 :: 118.696 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.Q133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.15 K 0.15 C 0.12 W 0.12 H 0.11 E 0.11 R 0.1 L 0.05 I 0.03 M 0.02 C Shift Assignments>> CA :: 56.800 CB :: 28.412 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 :: 8.756 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 :: 124.625 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.T134 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>> CA :: 61.430 CB :: 70.228 CG2 :: 21.256 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 :: 8.740 HA :: 4.621 HB :: 4.193 HG21 :: 1.277 HG22 :: 1.277 HG23 :: 1.277 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 :: 120.249 Ave N Shift Values>> N :: 115.42(4.75) 1.G135 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.67 C 0.31 C Shift Assignments>> C :: 176.842 CA :: 62.642 CB :: 32.266 CG :: 27.037 CD :: 49.521 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 :: 4.472 HB2 :: 2.301 HB3 :: 2.301 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.A137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.91 M 0.04 C 0.02 L 0.01 HN Overlap>> 1.E151 1.E151 C Shift Assignments>> C :: 177.345 CA :: 51.889 CB :: 19.751 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.581 HA :: 4.549 HB1 :: 1.063 HB2 :: 1.063 HB3 :: 1.063 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.865 Ave N Shift Values>> N :: 123.23(3.54) 1.V138 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.64 V 0.29 I 0.04 M 0.01 HN Overlap>> 1.K100 1.K100 C Shift Assignments>> C :: 174.170 CA :: 60.382 CB :: 35.555 CG1 :: 20.668 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 :: 8.304 HA :: 4.403 HB :: 0.864(S) HG11 :: 0.866 HG12 :: 0.866 HG13 :: 0.866 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 :: 119.855 Ave N Shift Values>> N :: 121.14(4.54) 1.E139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.62 E 0.24 M 0.07 I 0.04 C Shift Assignments>> C :: 176.170 CA :: 56.348 CB :: 30.902 CG :: 38.182 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 :: 8.694 HA :: 4.974 HB2 :: 1.915 HB3 :: 1.915 HG2 :: 2.228 HG3 :: 2.053 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 :: 126.364 Ave N Shift Values>> N :: 120.67(3.48) 1.V140 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.78 V 0.2 A 0.01 C Shift Assignments>> C :: 174.318 CA :: 59.041 CB :: 35.256 CG1 :: 19.510 CG2 :: 21.810 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 :: 9.090 HA :: 4.662 HB :: 2.232 HG11 :: 0.764 HG12 :: 0.764 HG13 :: 0.764 HG21 :: 0.919 HG22 :: 0.919 HG23 :: 0.919 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 :: 120.969 Ave N Shift Values>> N :: 121.14(4.54) 1.D141 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.29 D 0.25 K 0.14 R 0.11 F 0.06 C 0.04 Y 0.04 N 0.03 HN Overlap>> 1.H90 1.H90 C Shift Assignments>> C :: 178.109 CA :: 54.087 CB :: 42.275 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 :: 8.835 HA :: 5.006 HB2 :: 2.733 HB3 :: 2.501 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 :: 123.152 Ave N Shift Values>> N :: 120.65(3.86) 1.V142 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.88 C 0.11 C Shift Assignments>> C :: 178.483 CA :: 65.483 CB :: 31.251 CG1 :: 21.249 CG2 :: 21.490 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 :: 8.536 HA :: 3.509 HB :: 1.960 HG11 :: 0.803 HG12 :: 0.803 HG13 :: 0.803 HG21 :: 0.879 HG22 :: 0.879 HG23 :: 0.879 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 :: 123.451 Ave N Shift Values>> N :: 121.14(4.54) 1.K143 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 K 0.36 R 0.23 C Shift Assignments>> C :: 176.589 CA :: 58.186 CB :: 31.280 CG :: 24.477 CD :: 28.539 CE :: 42.230 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 :: 8.844 HA :: 4.125 HB2 :: 1.720 HB3 :: 1.720 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 :: 119.390 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D144 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.29 L 0.23 K 0.13 F 0.1 N 0.07 Y 0.07 C 0.05 R 0.01 C Shift Assignments>> C :: 176.293 CA :: 54.640 CB :: 41.274 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 :: 7.942 HA :: 4.667 HB2 :: 2.716 HB3 :: 2.670 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 :: 118.525 Ave N Shift Values>> N :: 120.65(3.86) 1.I145 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.68 I 0.31 C Shift Assignments>> C :: 174.152 CA :: 60.248 CB :: 37.869 CG1 :: 27.069 CG2 :: 14.356 CD1 :: 14.684 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 :: 7.383 HA :: 3.660 HB :: 1.462 HG21 :: 0.356 HG22 :: 0.356 HG23 :: 0.356 HD11 :: 0.211 HD12 :: 0.211 HD13 :: 0.211 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 :: 125.206 Ave N Shift Values>> N :: 121.46(4.28) 1.P146 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.76 C 0.23 C Shift Assignments>> C :: 175.792 CA :: 63.480 CB :: 32.049 CG :: 27.651 CD :: 50.742 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 :: 4.190 HB2 :: 2.221 HB3 :: 2.221 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.A147 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.93 M 0.03 C 0.01 C Shift Assignments>> C :: 177.806 CA :: 51.420 CB :: 19.814 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.327 HA :: 4.328 HB1 :: 1.325 HB2 :: 1.325 HB3 :: 1.325 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.177 Ave N Shift Values>> N :: 123.23(3.54) 1.Q148 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.15 Q 0.14 R 0.13 E 0.13 W 0.13 C 0.11 K 0.1 M 0.05 C Shift Assignments>> C :: 175.976 CA :: 56.200 CB :: 29.804 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 :: 8.555 HA :: 4.260 HB2 :: 1.871 HB3 :: 2.006 HG2 :: 2.289 HG3 :: 2.289 HE21 :: 7.698 HE22 :: 6.921 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 :: 121.229 NE2 :: 112.662 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.E149 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.39 C 0.33 M 0.12 Q 0.06 K 0.05 I 0.02 C Shift Assignments>> C :: 176.192 CA :: 56.482 CB :: 30.439 CG :: 36.161 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 :: 8.616 HA :: 4.314 HB2 :: 1.892 HB3 :: 2.022 HG2 :: 2.190 HG3 :: 2.264 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 :: 123.930 Ave N Shift Values>> N :: 120.67(3.48) 1.V150 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.63 C 0.36 HN Overlap>> 1.V114 1.V114 C Shift Assignments>> C :: 175.743 CA :: 61.908 CB :: 33.135 CG1 :: 20.566 CG2 :: 21.098 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 :: 8.197 HA :: 4.116 HB :: 1.994 HG11 :: 0.846 HG12 :: 0.846 HG13 :: 0.846 HG21 :: 0.840 HG22 :: 0.840 HG23 :: 0.840 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 :: 121.350 Ave N Shift Values>> N :: 121.14(4.54) 1.E151 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.4 C 0.33 M 0.11 Q 0.05 K 0.05 I 0.02 HN Overlap>> 1.A137 1.A137 C Shift Assignments>> C :: 175.971 CA :: 56.456 CB :: 30.389 CG :: 36.268 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 :: 8.513 HA :: 4.265 HB2 :: 1.874 HB3 :: 1.969 HG2 :: 2.149 HG3 :: 2.224 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 :: 124.875 Ave N Shift Values>> N :: 120.67(3.48) 1.H152 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.36 W 0.35 C 0.28 C Shift Assignments>> C :: 174.251 CA :: 56.035 CB :: 30.905 CD2 :: 120.534 CE1 :: 137.279 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 :: 8.369 HA :: 4.639 HB2 :: 3.095 HB3 :: 3.141 HD2 :: 7.196 HE1 :: 8.248 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 :: 121.205 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.E153 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 E 0.38 M 0.09 I 0.04 K 0.01 Q 0.01 C Shift Assignments>> C :: 181.265 CA :: 58.258 CB :: 30.945 CG :: 36.736 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 :: 8.190 HA :: 4.103 HB2 :: 1.883 HB3 :: 2.018 HG2 :: 2.182 HG3 :: 2.182 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 :: 127.404 Ave N Shift Values>> N :: 120.67(3.48) ########################################################################### Overall Results: #Consistent: 148 #Clerical: 0 #Suspicious: 5 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 122 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 31 Shift Relative Order (SRO) Results: #Consistent: 153 #Suspicious: 0 C Shift Results: #Consistent: 481 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 696 #Duplicate: 0 #Unknown: 0 #Suspicious: 7 #Anomalous: 0 N Shift Results: #Consistent: 123 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.I39 HG21 = -0.955(S), Expected = 0.77, Std = 0.2700, ChiSquare = 1.6710e-10 1.I39 HG22 = -0.955(S), Expected = 0.77, Std = 0.2700, ChiSquare = 1.6710e-10 1.I39 HG23 = -0.955(S), Expected = 0.77, Std = 0.2700, ChiSquare = 1.6710e-10 1.Q49 HA = 6.017(S), Expected = 4.27, Std = 0.4400, ChiSquare = 7.1736e-05 1.E51 HA = 5.648(S), Expected = 4.25, Std = 0.4100, ChiSquare = 6.5021e-04 1.F93 HB2 = 1.595(S), Expected = 3.00, Std = 0.3700, ChiSquare = 1.4628e-04 1.V138 HB = 0.864(S), Expected = 1.98, Std = 0.3200, ChiSquare = 4.8756e-04