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: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 175.063 CA :: 58.652 CB :: 64.030 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> HA :: 4.578 HB2 :: 3.949 HB3 :: 3.949 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.G3 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 :: 174.378 CA :: 45.435 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.656 HA2 :: 4.078 HA3 :: 4.078 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.365 Ave N Shift Values>> N :: 109.67(3.87) 1.S4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.885 CA :: 58.584 CB :: 63.980 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.345 HA :: 4.513 HB2 :: 3.944 HB3 :: 3.944 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 :: 115.903 Ave N Shift Values>> N :: 116.28(3.52) 1.R5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.49 C 0.38 G 0.07 K 0.04 HN Overlap>> 1.L7 1.L7 C Shift Assignments>> C :: 176.147 CA :: 56.249 CB :: 30.510 CG :: 27.120 CD :: 43.395 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 :: 8.524 HA :: 4.458 HB2 :: 1.965 HB3 :: 1.821 HG2 :: 1.714 HG3 :: 1.648 HD2 :: 3.267 HD3 :: 3.267 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 :: 122.807 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.N6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.62 D 0.22 C 0.14 C Shift Assignments>> C :: 175.039 CA :: 53.874 CB :: 38.988 CG :: 176.868 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 :: 8.555 HA :: 4.705 HB2 :: 2.875 HB3 :: 2.829 HD21 :: 7.676 HD22 :: 7.007 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 119.304 ND2 :: 112.879 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.66 C 0.21 R 0.08 G 0.02 A 0.01 HN Overlap>> 1.R5 1.R5 C Shift Assignments>> C :: 175.366 CA :: 54.254 CB :: 42.587 CG :: 26.796 CD1 :: 25.880 CD2 :: 24.015 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 :: 8.549 HA :: 4.485 HB2 :: 1.891 HB3 :: 1.511 HG :: 1.754 HD11 :: 1.042 HD12 :: 1.042 HD13 :: 1.042 HD21 :: 0.969 HD22 :: 0.969 HD23 :: 0.969 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 :: 122.774 Ave N Shift Values>> N :: 121.86(3.9) 1.D8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.35 L 0.19 N 0.17 F 0.07 K 0.06 Y 0.05 C 0.05 C Shift Assignments>> C :: 176.354 CA :: 53.482 CB :: 40.917 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 :: 8.226 HA :: 4.882 HB2 :: 3.111 HB3 :: 2.697 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 :: 122.335 Ave N Shift Values>> N :: 120.65(3.86) 1.F9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 F 0.32 Y 0.27 C Shift Assignments>> C :: 178.255 CA :: 58.691 CB :: 38.261 CD1 :: 130.321 CD2 :: 130.321 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 :: 9.392 HA :: 4.619 HB2 :: 3.546 HB3 :: 3.383 HD1 :: 7.168 HD2 :: 7.168 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 :: 125.875 Ave N Shift Values>> N :: 120.45(4.18) 1.Q10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.61 Q 0.34 E 0.04 C Shift Assignments>> C :: 177.949 CA :: 60.086 CB :: 27.584 CG :: 33.901 CD :: 179.959 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 :: 8.850 HA :: 4.111 HB2 :: 2.370 HB3 :: 2.291 HG2 :: 2.248 HG3 :: 2.186 HE21 :: 7.548 HE22 :: 6.604 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 :: 124.925 NE2 :: 112.197 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.A11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.54 M 0.41 C 0.02 I 0.01 C Shift Assignments>> C :: 179.920 CA :: 54.358 CB :: 18.182 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.768 HA :: 4.114 HB1 :: 1.419 HB2 :: 1.419 HB3 :: 1.419 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.545 Ave N Shift Values>> N :: 123.23(3.54) 1.L12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 L 0.31 R 0.28 G 0.02 C Shift Assignments>> C :: 179.169 CA :: 56.961 CB :: 42.819 CG :: 28.528 CD1 :: 25.784 CD2 :: 24.526 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 :: 6.928 HA :: 4.020 HB2 :: 2.039 HB3 :: 1.264 HG :: 1.752 HD11 :: 0.720 HD12 :: 0.720 HD13 :: 0.720 HD21 :: 1.013 HD22 :: 1.013 HD23 :: 1.013 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 :: 116.201 Ave N Shift Values>> N :: 121.86(3.9) 1.E13 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> C 0.42 Q 0.19 K 0.17 I 0.06 R 0.06 E 0.05 P 0.01 HN Overlap>> 1.K99 1.K99 C Shift Assignments>> C :: 178.912 CA :: 59.918 CB :: 27.964 CG :: 34.101 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 :: 7.855 HA :: 3.123 HB2 :: 1.599 HB3 :: 0.746(S) HG2 :: 1.377(S) HG3 :: 0.425(A) 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 :: 121.860 Ave N Shift Values>> N :: 120.67(3.48) 1.E14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.36 I 0.09 K 0.07 Q 0.05 M 0.03 C Shift Assignments>> C :: 178.083 CA :: 58.864 CB :: 29.815 CG :: 36.075 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 :: 7.680 HA :: 4.039 HB2 :: 2.110 HB3 :: 2.110 HG2 :: 2.407 HG3 :: 2.292 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 :: 116.564 Ave N Shift Values>> N :: 120.67(3.48) 1.T15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.85 C 0.14 C Shift Assignments>> C :: 174.845 CA :: 60.901 CB :: 70.022 CG2 :: 22.010 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 :: 7.306 HA :: 4.560 HB :: 4.546 HG21 :: 1.352 HG22 :: 1.352 HG23 :: 1.352 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 :: 106.197 Ave N Shift Values>> N :: 115.42(4.75) 1.T16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.95 C 0.04 C Shift Assignments>> C :: 173.173 CA :: 65.550 CB :: 69.799 CG2 :: 22.533 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 :: 7.298 HA :: 4.596 HB :: 4.215 HG21 :: 1.049 HG22 :: 1.049 HG23 :: 1.049 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 :: 122.408 Ave N Shift Values>> N :: 115.42(4.75) 1.E17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 M 0.33 E 0.18 Q 0.01 C Shift Assignments>> C :: 173.518 CA :: 54.244 CB :: 32.747 CG :: 36.324 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 :: 8.425 HA :: 4.588 HB2 :: 2.167 HB3 :: 1.737 HG2 :: 2.363 HG3 :: 2.297 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 :: 126.233 Ave N Shift Values>> N :: 120.67(3.48) 1.Y18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.67 C 0.21 G 0.1 C Shift Assignments>> C :: 175.531 CA :: 57.556 CB :: 43.159 CD1 :: 132.811 CD2 :: 132.811 CE1 :: 118.455 CE2 :: 118.455 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 :: 8.319 HA :: 5.546 HB2 :: 3.014 HB3 :: 2.632 HD1 :: 7.141 HD2 :: 7.141 HE1 :: 6.718 HE2 :: 6.718 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 :: 116.169 Ave N Shift Values>> N :: 120.52(4.2) 1.D19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.07 C 0.02 C Shift Assignments>> C :: 178.476 CA :: 52.583 CB :: 45.824 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 :: 8.870 HA :: 5.456 HB2 :: 2.488 HB3 :: 2.488 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 :: 120.522 Ave N Shift Values>> N :: 120.65(3.86) 1.G20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.05 C 0.05 C Shift Assignments>> C :: 173.525 CA :: 46.751 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.122 HA2 :: 3.987 HA3 :: 3.987 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.197 Ave N Shift Values>> N :: 109.67(3.87) 1.G21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.35 L 0.28 R 0.2 C 0.04 F 0.03 D 0.03 Y 0.02 C Shift Assignments>> C :: 175.886 CA :: 44.212 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.956 HA2 :: 4.547 HA3 :: 3.562 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.420 Ave N Shift Values>> N :: 109.67(3.87) 1.Y22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.23 N 0.19 F 0.16 Y 0.15 L 0.11 C 0.1 I 0.01 C Shift Assignments>> C :: 175.479 CA :: 55.138 CB :: 39.648 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 :: 6.563 HA :: 5.162 HB2 :: 3.129 HB3 :: 3.129 HD1 :: 7.172 HD2 :: 7.172 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 :: 118.039 Ave N Shift Values>> N :: 120.52(4.2) 1.T23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.54 C 0.45 C Shift Assignments>> C :: 174.194 CA :: 59.769 CB :: 72.896 CG2 :: 21.408 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 :: 8.452 HA :: 4.495 HB :: 4.486 HG21 :: 1.196 HG22 :: 1.196 HG23 :: 1.196 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 :: 109.616 Ave N Shift Values>> N :: 115.42(4.75) 1.R24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.43 C 0.42 G 0.08 K 0.04 C Shift Assignments>> C :: 175.144 CA :: 58.157 CB :: 29.947 CG :: 26.805 CD :: 43.520 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 :: 8.701 HA :: 3.540 HB2 :: 1.923 HB3 :: 1.853 HG2 :: 1.733 HG3 :: 1.680 HD2 :: 3.312 HD3 :: 3.301 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 :: 118.186 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.D25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.29 L 0.27 K 0.13 R 0.07 F 0.06 N 0.06 C 0.04 Y 0.03 C Shift Assignments>> C :: 176.500 CA :: 53.651 CB :: 42.042 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 :: 7.693 HA :: 4.696 HB2 :: 2.787 HB3 :: 2.381 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 :: 113.136 Ave N Shift Values>> N :: 120.65(3.86) 1.S26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.872 CA :: 60.382 CB :: 63.148 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.686 HA :: 4.299 HB2 :: 3.905 HB3 :: 3.905 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 120.116 Ave N Shift Values>> N :: 116.28(3.52) 1.V27 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 :: 178.000 CA :: 67.277 CB :: 31.548 CG1 :: 22.650 CG2 :: 20.627 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 :: 8.912 HA :: 3.518 HB :: 2.084 HG11 :: 1.143 HG12 :: 1.143 HG13 :: 1.143 HG21 :: 0.934 HG22 :: 0.934 HG23 :: 0.934 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 :: 128.044 Ave N Shift Values>> N :: 121.14(4.54) 1.L28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.5 C 0.34 R 0.13 HN Overlap>> 1.E42 1.E42 C Shift Assignments>> C :: 179.092 CA :: 56.351 CB :: 42.036 CG :: 27.751 CD1 :: 25.853 CD2 :: 24.623 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 :: 8.458 HA :: 4.175 HB2 :: 1.865 HB3 :: 1.419 HG :: 1.176 HD11 :: 1.169 HD12 :: 1.169 HD13 :: 1.169 HD21 :: 0.986 HD22 :: 0.986 HD23 :: 0.986 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 :: 118.779 Ave N Shift Values>> N :: 121.86(3.9) 1.I29 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.98 C Shift Assignments>> C :: 177.844 CA :: 59.652 CB :: 34.781 CG1 :: 26.028 CG2 :: 19.263 CD1 :: 7.363(S) 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 :: 6.318 HA :: 3.659 HB :: 2.231 HG12 :: 0.947 HG13 :: 0.947 HG21 :: 1.008 HG22 :: 1.008 HG23 :: 1.008 HD11 :: -0.034 HD12 :: -0.034 HD13 :: -0.034 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 :: 115.805 Ave N Shift Values>> N :: 121.46(4.28) 1.R30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 R 0.37 G 0.13 K 0.02 C Shift Assignments>> C :: 180.914 CA :: 59.323 CB :: 29.769 CG :: 26.729 CD :: 43.844 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 :: 8.260 HA :: 4.241 HB2 :: 2.101 HB3 :: 1.972 HG2 :: 1.847 HG3 :: 1.678 HD2 :: 3.320 HD3 :: 3.320 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 :: 120.138 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.E31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 E 0.23 K 0.14 Q 0.12 I 0.12 R 0.01 C Shift Assignments>> C :: 177.528 CA :: 59.051 CB :: 28.353 CG :: 35.340 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 :: 8.269 HA :: 3.992 HB2 :: 2.525 HB3 :: 1.664 HG2 :: 2.864 HG3 :: 2.322 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 :: 118.503 Ave N Shift Values>> N :: 120.67(3.48) 1.F32 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> F 0.49 C 0.37 Y 0.12 C Shift Assignments>> C :: 176.103 CA :: 62.192 CB :: 38.120 CD1 :: 130.586 CD2 :: 130.586 CE1 :: 130.655 CE2 :: 130.655 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 :: 8.636 HA :: 3.660 HB2 :: 2.802 HB3 :: 3.387 HD1 :: 5.909(S) HD2 :: 5.909(S) HE1 :: 5.842(S) HE2 :: 5.842(S) 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 :: 120.943 Ave N Shift Values>> N :: 120.45(4.18) 1.W33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 W 0.44 C Shift Assignments>> C :: 177.538 CA :: 60.238 CB :: 28.758 CD1 :: 129.359 CE3 :: 121.467 CZ2 :: 115.201 CZ3 :: 120.496 CH2 :: 123.334 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 8.274 HA :: 4.080 HB2 :: 3.304 HB3 :: 3.095 HD1 :: 7.364 HE1 :: 10.013 HE3 :: 6.899 HZ2 :: 7.655 HZ3 :: 6.741 HH2 :: 6.955 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 119.185 NE1 :: 125.879 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.E34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 E 0.31 I 0.2 K 0.06 Q 0.02 M 0.01 C Shift Assignments>> C :: 180.252 CA :: 59.781 CB :: 29.308 CG :: 36.306 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 :: 7.705 HA :: 3.952 HB2 :: 2.280 HB3 :: 2.022 HG2 :: 2.586 HG3 :: 2.247 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 :: 118.385 Ave N Shift Values>> N :: 120.67(3.48) 1.I35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.82 C 0.17 C Shift Assignments>> C :: 178.608 CA :: 64.249 CB :: 37.941 CG1 :: 28.812 CG2 :: 17.942 CD1 :: 14.778 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 :: 7.783 HA :: 3.427 HB :: 1.655 HG12 :: 1.649 HG13 :: 0.829 HG21 :: 0.419 HG22 :: 0.419 HG23 :: 0.419 HD11 :: 0.832 HD12 :: 0.832 HD13 :: 0.832 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 :: 119.146 Ave N Shift Values>> N :: 121.46(4.28) 1.V36 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> V 0.84 C 0.15 HN Overlap>> 1.R45 1.K112 1.R45 1.K112 C Shift Assignments>> C :: 178.807 CA :: 65.002 CB :: 30.546 CG1 :: 21.303 CG2 :: 21.404 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 :: 7.913 HA :: 1.869(S) HB :: 1.068 HG11 :: -0.040(S) HG12 :: -0.040(S) HG13 :: -0.040(S) HG21 :: -0.478(S) HG22 :: -0.478(S) HG23 :: -0.478(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 :: 119.188 Ave N Shift Values>> N :: 121.14(4.54) 1.H37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.36 C 0.34 H 0.28 C Shift Assignments>> C :: 177.650 CA :: 59.068 CB :: 29.989 CD2 :: 120.073 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 :: 8.383 HA :: 4.594 HB2 :: 3.158 HB3 :: 3.140 HD2 :: 7.252 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 :: 116.278 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.S38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.T109 1.T109 C Shift Assignments>> C :: 174.314 CA :: 58.953 CB :: 64.384 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.386 HA :: 4.594 HB2 :: 4.068 HB3 :: 4.058 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 :: 113.541 Ave N Shift Values>> N :: 116.28(3.52) 1.F39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.71 Y 0.16 F 0.12 C Shift Assignments>> C :: 178.017 CA :: 53.573 CB :: 38.951 CD1 :: 129.466 CD2 :: 129.466 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 :: 7.420 HA :: 5.007 HB2 :: 3.455 HB3 :: 3.455 HD1 :: 6.789 HD2 :: 6.789 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 :: 123.180 Ave N Shift Values>> N :: 120.45(4.18) 1.T40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.83 C 0.16 C Shift Assignments>> C :: 175.369 CA :: 60.861 CB :: 70.874 CG2 :: 21.935 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 :: 8.580 HA :: 4.440 HB :: 4.802 HG21 :: 1.357 HG22 :: 1.357 HG23 :: 1.357 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 :: 111.706 Ave N Shift Values>> N :: 115.42(4.75) 1.D41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.3 Y 0.29 C 0.14 I 0.12 L 0.05 D 0.04 K 0.01 C Shift Assignments>> C :: 178.129 CA :: 58.583 CB :: 40.054 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 :: 9.131 HA :: 4.339 HB2 :: 2.729 HB3 :: 2.729 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 :: 121.873 Ave N Shift Values>> N :: 120.65(3.86) 1.E42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 E 0.33 I 0.15 K 0.07 Q 0.04 M 0.01 HN Overlap>> 1.L28 1.L28 C Shift Assignments>> C :: 178.843 CA :: 59.688 CB :: 29.554 CG :: 36.028 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 :: 8.466 HA :: 4.081 HB2 :: 2.061 HB3 :: 2.061 HG2 :: 2.256 HG3 :: 2.256 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 :: 118.778 Ave N Shift Values>> N :: 120.67(3.48) 1.Q43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.74 Q 0.24 E 0.01 C Shift Assignments>> C :: 178.141 CA :: 58.849 CB :: 26.101 CG :: 34.214 CD :: 178.699 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 :: 7.556 HA :: 3.593 HB2 :: 2.102 HB3 :: 1.691 HG2 :: 2.245 HG3 :: 1.839 HE21 :: 7.252 HE22 :: 6.634 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 :: 118.785 NE2 :: 109.817 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.K44 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.8 R 0.16 G 0.02 C Shift Assignments>> C :: 178.786 CA :: 61.611 CB :: 33.300 CG :: 28.702(S) CD :: 29.930 CE :: 42.196 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 :: 8.779 HA :: 3.895 HB2 :: 2.107 HB3 :: 1.680 HG2 :: 1.648 HG3 :: 0.443 HD2 :: 1.393 HD3 :: 0.972 HE2 :: 2.867 HE3 :: 2.671 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 :: 119.543 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.R45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.62 G 0.16 R 0.16 K 0.04 HN Overlap>> 1.K112 1.V36 1.K112 1.V36 C Shift Assignments>> C :: 179.095 CA :: 60.962 CB :: 30.295 CG :: 29.222 CD :: 43.552 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 :: 8.020 HA :: 4.055 HB2 :: 1.699 HB3 :: 1.699 HG2 :: 2.093 HG3 :: 2.093 HD2 :: 3.307 HD3 :: 3.307 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 :: 119.198 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.L46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.51 C 0.46 R 0.01 A 0.01 C Shift Assignments>> C :: 180.455 CA :: 57.831 CB :: 41.247 CG :: 26.293 CD1 :: 25.895 CD2 :: 22.193 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 :: 8.232 HA :: 4.148 HB2 :: 1.854 HB3 :: 1.457 HG :: 1.877 HD11 :: 0.804 HD12 :: 0.804 HD13 :: 0.804 HD21 :: 0.952 HD22 :: 0.952 HD23 :: 0.952 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 :: 119.613 Ave N Shift Values>> N :: 121.86(3.9) 1.F47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.41 C 0.3 Y 0.27 HN Overlap>> 1.K97 1.K97 C Shift Assignments>> C :: 177.806 CA :: 62.490 CB :: 39.186 CD1 :: 130.633 CD2 :: 130.633 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 :: 9.033 HA :: 4.223 HB2 :: 3.777 HB3 :: 3.374 HD1 :: 6.758 HD2 :: 6.758 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 :: 122.314 Ave N Shift Values>> N :: 120.45(4.18) 1.L48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 L 0.43 R 0.07 C Shift Assignments>> C :: 180.501 CA :: 58.238 CB :: 41.536 CG :: 27.532 CD1 :: 26.136 CD2 :: 22.983 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 :: 8.677 HA :: 3.979 HB2 :: 2.120 HB3 :: 1.949 HG :: 2.277 HD11 :: 1.005 HD12 :: 1.005 HD13 :: 1.005 HD21 :: 0.859 HD22 :: 0.859 HD23 :: 0.859 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 :: 122.803 Ave N Shift Values>> N :: 121.86(3.9) 1.Q49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 Q 0.39 E 0.04 C Shift Assignments>> C :: 178.473 CA :: 59.610 CB :: 28.628 CG :: 34.088 CD :: 178.856 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 :: 8.685 HA :: 3.657 HB2 :: 2.104 HB3 :: 2.104 HG2 :: 2.272 HG3 :: 2.180 HE21 :: 7.417 HE22 :: 6.593 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 :: 123.265 NE2 :: 110.390 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.F50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.31 F 0.26 Y 0.23 C 0.15 K 0.01 L 0.01 C Shift Assignments>> C :: 176.066 CA :: 60.838 CB :: 40.357 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 :: 8.405 HA :: 4.211 HB2 :: 3.431 HB3 :: 3.076 HD1 :: 7.055 HD2 :: 7.055 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 :: 120.186 Ave N Shift Values>> N :: 120.45(4.18) 1.T51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.9 C 0.09 C Shift Assignments>> C :: 174.730 CA :: 65.290 CB :: 69.728 CG2 :: 23.197 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 :: 7.792 HA :: 3.666 HB :: 3.632 HG21 :: 0.919 HG22 :: 0.919 HG23 :: 0.919 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 110.055 Ave N Shift Values>> N :: 115.42(4.75) 1.T52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.79 C 0.2 C Shift Assignments>> C :: 176.564 CA :: 61.353 CB :: 72.278 CG2 :: 21.144 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 :: 8.147 HA :: 5.110 HB :: 4.337 HG21 :: 1.135 HG22 :: 1.135 HG23 :: 1.135 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 :: 106.551 Ave N Shift Values>> N :: 115.42(4.75) 1.G53 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 :: 173.120 CA :: 45.395 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.830 HA2 :: 4.375 HA3 :: 3.846 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.903 Ave N Shift Values>> N :: 109.67(3.87) 1.T54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.79 C 0.19 C Shift Assignments>> C :: 170.348 CA :: 59.758 CB :: 69.742 CG2 :: 20.064 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 :: 7.806 HA :: 4.789 HB :: 4.147 HG21 :: 1.167 HG22 :: 1.167 HG23 :: 1.167 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 :: 114.808 Ave N Shift Values>> N :: 115.42(4.75) 1.D55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.37 N 0.22 L 0.18 F 0.06 C 0.05 Y 0.04 K 0.04 C Shift Assignments>> C :: 174.921 CA :: 52.951 CB :: 40.878 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 :: 8.033 HA :: 4.650 HB2 :: 3.050 HB3 :: 2.584 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 :: 120.941 Ave N Shift Values>> N :: 120.65(3.86) 1.R56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.48 C 0.33 G 0.09 K 0.08 C Shift Assignments>> C :: 175.473 CA :: 54.597 CB :: 31.845 CG :: 26.452 CD :: 43.431 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 :: 7.652 HA :: 4.437 HB2 :: 1.802 HB3 :: 1.714 HG2 :: 1.662 HG3 :: 1.662 HD2 :: 3.197 HD3 :: 3.197 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 117.910 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.A57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.92 M 0.06 C Shift Assignments>> C :: 175.230 CA :: 50.122 CB :: 18.363 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.597 HA :: 4.358 HB1 :: 1.324 HB2 :: 1.324 HB3 :: 1.324 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.384 Ave N Shift Values>> N :: 123.23(3.54) 1.P58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.63 C 0.36 C Shift Assignments>> C :: 177.086 CA :: 62.053 CB :: 32.084 CG :: 27.132 CD :: 49.988 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 :: 4.572 HB2 :: 2.292 HB3 :: 1.903 HG2 :: 1.794 HG3 :: 1.794 HD2 :: 3.733 HD3 :: 3.189 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.V59 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 :: 177.400 CA :: 65.381 CB :: 31.336 CG1 :: 21.778 CG2 :: 20.904 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 :: 8.544 HA :: 3.780 HB :: 2.000 HG11 :: 1.066 HG12 :: 1.066 HG13 :: 1.066 HG21 :: 0.958 HG22 :: 0.958 HG23 :: 0.958 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 :: 123.164 Ave N Shift Values>> N :: 121.14(4.54) 1.G60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.72 L 0.15 R 0.04 C 0.03 F 0.01 D 0.01 C Shift Assignments>> C :: 175.297 CA :: 44.935 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.770 HA2 :: 4.209 HA3 :: 3.813 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 113.972 Ave N Shift Values>> N :: 109.67(3.87) 1.G61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.55 L 0.22 R 0.1 C 0.04 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> C :: 174.259 CA :: 44.573 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.215 HA2 :: 4.551 HA3 :: 3.854 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.620 Ave N Shift Values>> N :: 109.67(3.87) 1.L62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.44 C 0.42 R 0.1 K 0.01 C Shift Assignments>> C :: 177.963 CA :: 57.267 CB :: 41.577 CG :: 27.536 CD1 :: 26.797 CD2 :: 24.287 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 :: 8.870 HA :: 3.911 HB2 :: 1.844 HB3 :: 1.523 HG :: 1.928 HD11 :: 0.878 HD12 :: 0.878 HD13 :: 0.878 HD21 :: 0.886 HD22 :: 0.886 HD23 :: 0.886 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 :: 116.630 Ave N Shift Values>> N :: 121.86(3.9) 1.G63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.06 C 0.03 C Shift Assignments>> C :: 175.856 CA :: 46.119 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.793 HA2 :: 4.025 HA3 :: 3.751 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 104.837 Ave N Shift Values>> N :: 109.67(3.87) 1.K64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.39 K 0.29 C 0.29 G 0.01 C Shift Assignments>> C :: 177.143 CA :: 54.839 CB :: 31.470 CG :: 24.276 CD :: 27.560 CE :: 42.347 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 :: 7.606 HA :: 4.300 HB2 :: 2.041 HB3 :: 1.861 HG2 :: 1.670 HG3 :: 1.318 HD2 :: 1.638 HD3 :: 1.638 HE2 :: 3.060 HE3 :: 2.962 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 :: 117.001 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.5 C 0.29 R 0.17 G 0.02 C Shift Assignments>> C :: 175.764 CA :: 55.928 CB :: 42.792 CG :: 27.514 CD1 :: 25.840 CD2 :: 24.363 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 :: 7.588 HA :: 4.069 HB2 :: 1.733 HB3 :: 1.503 HG :: 1.550 HD11 :: 0.934 HD12 :: 0.934 HD13 :: 0.934 HD21 :: 0.901 HD22 :: 0.901 HD23 :: 0.901 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 :: 121.027 Ave N Shift Values>> N :: 121.86(3.9) 1.K66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.39 C 0.35 R 0.23 C Shift Assignments>> C :: 174.886 CA :: 55.942 CB :: 30.434 CG :: 24.436 CD :: 28.602 CE :: 41.915 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 :: 7.750 HA :: 4.095 HB2 :: 1.865 HB3 :: 1.739 HG2 :: 1.481 HG3 :: 1.349 HD2 :: 1.733 HD3 :: 1.733 HE2 :: 3.044 HE3 :: 3.044 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 :: 118.872 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.M67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.44 C 0.39 A 0.15 C Shift Assignments>> C :: 174.429 CA :: 55.829 CB :: 35.354 CG :: 31.978 CE :: 17.635 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 :: 8.384 HA :: 4.726 HB2 :: 1.739 HB3 :: 1.739 HG2 :: 2.525 HG3 :: 2.406 HE1 :: 2.198 HE2 :: 2.198 HE3 :: 2.198 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 :: 122.751 Ave N Shift Values>> N :: 120.09(3.57) 1.I68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 I 0.47 C Shift Assignments>> C :: 175.321 CA :: 58.733 CB :: 41.457 CG1 :: 27.790 CG2 :: 17.048 CD1 :: 13.665 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 :: 8.286 HA :: 4.874 HB :: 1.657 HG12 :: 1.581 HG13 :: 0.986 HG21 :: 0.674 HG22 :: 0.674 HG23 :: 0.674 HD11 :: 0.811 HD12 :: 0.811 HD13 :: 0.811 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 :: 125.363 Ave N Shift Values>> N :: 121.46(4.28) 1.I69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.66 C 0.33 C Shift Assignments>> C :: 173.977 CA :: 60.929 CB :: 37.917 CG1 :: 26.920 CG2 :: 18.051 CD1 :: 13.850 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 :: 8.449 HA :: 4.913 HB :: 1.895 HG12 :: 1.474 HG13 :: 0.809 HG21 :: 0.576 HG22 :: 0.576 HG23 :: 0.576 HD11 :: 0.255 HD12 :: 0.255 HD13 :: 0.255 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 :: 124.955 Ave N Shift Values>> N :: 121.46(4.28) 1.A70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.51 G 0.29 C 0.1 L 0.08 C Shift Assignments>> C :: 175.837 CA :: 48.764 CB :: 22.205 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.254 HA :: 5.086 HB1 :: 1.172 HB2 :: 1.172 HB3 :: 1.172 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 130.174 Ave N Shift Values>> N :: 123.23(3.54) 1.K71 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.41 K 0.4 R 0.17 C Shift Assignments>> C :: 176.129 CA :: 57.737 CB :: 30.941 CG :: 25.201 CD :: 28.944 CE :: 42.007 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 :: 7.306 HA :: 3.952 HB2 :: 1.355 HB3 :: -0.244(S) HG2 :: 1.058 HG3 :: 1.058 HD2 :: 1.300 HD3 :: 1.300 HE2 :: 2.526 HE3 :: 2.526 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 :: 124.102 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.N72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.78 D 0.13 C 0.07 C Shift Assignments>> C :: 173.836 CA :: 50.455 CB :: 40.149 CG :: 175.830 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 :: 7.203 HA :: 5.130 HB2 :: 2.178 HB3 :: 2.093 HD21 :: 7.420 HD22 :: 6.947 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 :: 125.853 ND2 :: 111.367 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.G73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.67 L 0.17 R 0.05 C 0.03 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> C :: 169.985 CA :: 44.826 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.723 HA2 :: 4.298 HA3 :: 3.769 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.758 Ave N Shift Values>> N :: 109.67(3.87) 1.P74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.67 P 0.31 C Shift Assignments>> C :: 174.521 CA :: 61.993 CB :: 33.553 CG :: 26.242 CD :: 48.970 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 :: 4.726 HB2 :: 2.287 HB3 :: 2.203 HG2 :: 2.047 HG3 :: 1.745 HD2 :: 3.559 HD3 :: 3.408 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.D75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.21 R 0.19 L 0.18 F 0.14 Y 0.09 C 0.07 D 0.06 I 0.01 C Shift Assignments>> C :: 174.403 CA :: 57.621 CB :: 42.447 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 :: 7.877 HA :: 3.835 HB2 :: 2.985 HB3 :: 2.531 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 :: 115.884 Ave N Shift Values>> N :: 120.65(3.86) 1.T76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.75 C 0.22 S 0.01 C Shift Assignments>> C :: 172.412 CA :: 59.333 CB :: 68.482 CG2 :: 20.556 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 :: 7.179 HA :: 4.718 HB :: 4.306 HG21 :: 1.238 HG22 :: 1.238 HG23 :: 1.238 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 :: 118.041 Ave N Shift Values>> N :: 115.42(4.75) 1.E77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.42 C 0.34 K 0.08 M 0.05 Q 0.04 I 0.04 C Shift Assignments>> C :: 177.902 CA :: 56.381 CB :: 29.747 CG :: 36.463 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 :: 8.312 HA :: 4.592 HB2 :: 2.223 HB3 :: 1.991 HG2 :: 2.354 HG3 :: 2.354 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 :: 121.413 Ave N Shift Values>> N :: 120.67(3.48) 1.R78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.43 C 0.4 K 0.1 G 0.05 C Shift Assignments>> C :: 176.088 CA :: 57.275 CB :: 30.730 CG :: 27.849 CD :: 43.349 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 :: 8.449 HA :: 4.255 HB2 :: 2.017 HB3 :: 1.852 HG2 :: 1.856 HG3 :: 1.782 HD2 :: 3.294 HD3 :: 3.294 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 :: 121.819 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.L79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.73 C 0.21 A 0.03 C Shift Assignments>> C :: 174.951 CA :: 53.641 CB :: 41.304 CG :: 26.910 CD1 :: 23.565 CD2 :: 25.043 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 :: 8.447 HA :: 4.443 HB2 :: 1.822 HB3 :: 1.634 HG :: 1.720 HD11 :: 1.035 HD12 :: 1.035 HD13 :: 1.035 HD21 :: 0.968 HD22 :: 0.968 HD23 :: 0.968 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 :: 120.676 Ave N Shift Values>> N :: 121.86(3.9) 1.P80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.71 C 0.28 C Shift Assignments>> C :: 174.141 CA :: 63.100 CB :: 32.869 CG :: 27.791 CD :: 50.028 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 :: 4.929 HB2 :: 2.148 HB3 :: 1.909 HG2 :: 2.669 HG3 :: 1.984 HD2 :: 4.297 HD3 :: 3.544 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.T81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.55 C 0.44 C Shift Assignments>> C :: 172.327 CA :: 60.013 CB :: 72.198 CG2 :: 22.540 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 :: 8.161 HA :: 4.954 HB :: 4.368 HG21 :: 1.297 HG22 :: 1.297 HG23 :: 1.297 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 110.540 Ave N Shift Values>> N :: 115.42(4.75) 1.S82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.91 T 0.08 C Shift Assignments>> C :: 174.222 CA :: 55.783 CB :: 66.505 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.319 HA :: 5.339 HB2 :: 3.662 HB3 :: 3.183 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 :: 112.729 Ave N Shift Values>> N :: 116.28(3.52) 1.H83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.47 C 0.27 W 0.25 C Shift Assignments>> C :: 176.917 CA :: 53.389 CB :: 30.513 CD2 :: 118.766 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 :: 8.921 HA :: 5.267 HB2 :: 3.278 HB3 :: 3.107 HD2 :: 7.097 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 :: 119.708 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.T84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.94 C 0.05 C Shift Assignments>> C :: 177.071 CA :: 64.989 CB :: 68.297 CG2 :: 22.191 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 :: 8.768 HA :: 4.211 HB :: 3.841 HG21 :: 1.048 HG22 :: 1.048 HG23 :: 1.048 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 117.942 Ave N Shift Values>> N :: 115.42(4.75) 1.C85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.34 C 0.23 R 0.12 W 0.07 P 0.06 Q 0.03 L 0.03 K 0.03 H 0.02 E 0.02 C Shift Assignments>> C :: 174.473 CA :: 60.355 CB :: 26.831 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.376 HA :: 4.175 HB2 :: 2.514 HB3 :: 2.589 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 :: 117.899 Ave N Shift Values>> N :: 120.17(4.64) 1.F86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.49 Y 0.35 C 0.14 C Shift Assignments>> C :: 173.925 CA :: 55.883 CB :: 41.257 CD1 :: 131.563 CD2 :: 131.563 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 :: 7.125 HA :: 4.958 HB2 :: 3.567 HB3 :: 2.512 HD1 :: 7.064 HD2 :: 7.064 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 :: 116.606 Ave N Shift Values>> N :: 120.45(4.18) 1.N87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.67 C 0.28 D 0.03 C Shift Assignments>> C :: 172.610 CA :: 54.016 CB :: 37.097 CG :: 176.327 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 :: 7.849 HA :: 4.559 HB2 :: 3.277 HB3 :: 2.579 HD21 :: 7.445 HD22 :: 6.637 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 :: 117.500 ND2 :: 110.707 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.V88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 V 0.44 C Shift Assignments>> C :: 174.724 CA :: 60.259 CB :: 35.219 CG1 :: 21.976 CG2 :: 21.271 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 :: 7.319 HA :: 4.971 HB :: 1.885 HG11 :: 0.967 HG12 :: 0.967 HG13 :: 0.967 HG21 :: 0.812 HG22 :: 0.812 HG23 :: 0.812 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 :: 115.106 Ave N Shift Values>> N :: 121.14(4.54) 1.L89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.53 G 0.24 C 0.18 A 0.02 C Shift Assignments>> C :: 173.863 CA :: 53.481 CB :: 44.059 CG :: 27.641 CD1 :: 23.852 CD2 :: 24.032 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 :: 9.319 HA :: 4.673 HB2 :: 2.089 HB3 :: 1.347 HG :: 1.186 HD11 :: 1.159 HD12 :: 1.159 HD13 :: 1.159 HD21 :: 1.003 HD22 :: 1.003 HD23 :: 1.003 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 :: 129.440 Ave N Shift Values>> N :: 121.86(3.9) 1.L90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.65 C 0.34 C Shift Assignments>> C :: 174.963 CA :: 54.713 CB :: 40.333 CG :: 27.749 CD1 :: 24.892 CD2 :: 25.172 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 :: 9.093 HA :: 4.857 HB2 :: 2.015 HB3 :: 0.953 HG :: 1.305 HD11 :: 0.634 HD12 :: 0.634 HD13 :: 0.634 HD21 :: 0.485 HD22 :: 0.485 HD23 :: 0.485 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 :: 129.254 Ave N Shift Values>> N :: 121.86(3.9) 1.L91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 C 0.1 L 0.09 C Shift Assignments>> C :: 174.780 CA :: 50.814 CB :: 46.552 CG :: 26.290 CD1 :: 24.708 CD2 :: 25.644 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 :: 8.672 HA :: 5.086 HB2 :: 1.962 HB3 :: 1.097 HG :: 1.821 HD11 :: 0.999 HD12 :: 0.999 HD13 :: 0.999 HD21 :: 0.588 HD22 :: 0.588 HD23 :: 0.588 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 :: 125.692 Ave N Shift Values>> N :: 121.86(3.9) 1.P92 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> P 0.57 C 0.42 C Shift Assignments>> C :: 173.539 CA :: 62.463 CB :: 33.116 CG :: 27.342 CD :: 51.407 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 :: 3.947 HB2 :: 1.981 HB3 :: 0.333(S) HG2 :: 1.805 HG3 :: 1.595 HD2 :: 4.203 HD3 :: 3.445 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.E93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 E 0.28 I 0.06 K 0.03 L 0.03 C Shift Assignments>> C :: 175.085 CA :: 54.175 CB :: 28.711 CG :: 37.732 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 :: 7.993 HA :: 4.524 HB2 :: 1.959 HB3 :: 1.745 HG2 :: 2.363 HG3 :: 2.225 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 :: 121.599 Ave N Shift Values>> N :: 120.67(3.48) 1.Y94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.7 C 0.29 C Shift Assignments>> C :: 176.784 CA :: 58.855 CB :: 40.435 CD1 :: 132.612 CD2 :: 132.612 CE1 :: 118.459 CE2 :: 118.459 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 :: 7.391 HA :: 5.069 HB2 :: 3.179 HB3 :: 2.582 HD1 :: 7.411 HD2 :: 7.411 HE1 :: 6.941 HE2 :: 6.941 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 :: 121.851 Ave N Shift Values>> N :: 120.52(4.2) 1.S95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.040 CA :: 59.442 CB :: 64.401 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.861 HA :: 4.270 HB2 :: 4.180 HB3 :: 3.879 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 :: 110.564 Ave N Shift Values>> N :: 116.28(3.52) 1.S96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.82 T 0.17 C Shift Assignments>> C :: 173.807 CA :: 57.445 CB :: 66.619 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.219 HA :: 4.925 HB2 :: 4.288 HB3 :: 4.072 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 :: 112.162 Ave N Shift Values>> N :: 116.28(3.52) 1.K97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 K 0.4 R 0.12 HN Overlap>> 1.F47 1.F47 C Shift Assignments>> C :: 177.673 CA :: 59.411 CB :: 32.601 CG :: 25.520 CD :: 29.823 CE :: 41.952 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 :: 9.051 HA :: 3.865 HB2 :: 1.779 HB3 :: 1.779 HG2 :: 1.381 HG3 :: 1.255 HD2 :: 1.701 HD3 :: 1.701 HE2 :: 2.939 HE3 :: 2.939 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 :: 122.337 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.39 C 0.36 E 0.2 K 0.03 HN Overlap>> 1.L104 1.L104 C Shift Assignments>> C :: 179.008 CA :: 60.206 CB :: 28.418 CG :: 36.811 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 :: 8.725 HA :: 3.926 HB2 :: 2.058 HB3 :: 1.933 HG2 :: 2.454 HG3 :: 2.277 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 :: 118.848 Ave N Shift Values>> N :: 120.67(3.48) 1.K99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 K 0.25 R 0.2 G 0.01 HN Overlap>> 1.E13 1.E13 C Shift Assignments>> C :: 177.118 CA :: 59.539 CB :: 33.727 CG :: 25.468 CD :: 30.731 CE :: 42.320 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 :: 7.883 HA :: 4.101 HB2 :: 1.830 HB3 :: 1.696 HG2 :: 1.349 HG3 :: 1.349 HD2 :: 1.840 HD3 :: 1.840 HE2 :: 3.078 HE3 :: 3.078 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 :: 121.843 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.71 L 0.19 R 0.06 K 0.02 C Shift Assignments>> C :: 177.002 CA :: 58.588 CB :: 40.956 CG :: 28.191 CD1 :: 27.015 CD2 :: 25.707 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 :: 7.780 HA :: 3.802 HB2 :: 2.205 HB3 :: 1.682 HG :: 1.613 HD11 :: 1.096 HD12 :: 1.096 HD13 :: 1.096 HD21 :: 1.352 HD22 :: 1.352 HD23 :: 1.352 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 :: 118.740 Ave N Shift Values>> N :: 121.86(3.9) 1.K101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 K 0.37 R 0.07 G 0.01 C Shift Assignments>> C :: 176.703 CA :: 61.066 CB :: 32.543 CG :: 25.225 CD :: 29.780 CE :: 42.192 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 :: 8.349 HA :: 3.662 HB2 :: 1.982 HB3 :: 1.713 HG2 :: 1.480 HG3 :: 1.227 HD2 :: 1.694 HD3 :: 1.694 HE2 :: 2.966 HE3 :: 2.966 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 :: 117.093 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 E 0.25 I 0.15 K 0.1 Q 0.08 M 0.01 C Shift Assignments>> C :: 179.773 CA :: 60.219 CB :: 29.280 CG :: 35.439 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 :: 7.778 HA :: 3.913 HB2 :: 2.053 HB3 :: 1.953 HG2 :: 2.462 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 :: 117.942 Ave N Shift Values>> N :: 120.67(3.48) 1.R103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 G 0.28 R 0.11 K 0.01 C Shift Assignments>> C :: 178.762 CA :: 58.591 CB :: 32.727 CG :: 25.520 CD :: 44.428 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 :: 8.576 HA :: 4.013 HB2 :: 1.739 HB3 :: 1.739 HG2 :: 1.773 HG3 :: 0.852 HD2 :: 2.998 HD3 :: 2.922 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 :: 118.366 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.L104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 L 0.25 R 0.25 G 0.04 HN Overlap>> 1.E98 1.E98 C Shift Assignments>> C :: 178.477 CA :: 58.549 CB :: 42.991 CG :: 27.590 CD1 :: 23.594 CD2 :: 26.387 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 :: 8.700 HA :: 4.026 HB2 :: 2.021 HB3 :: 1.698 HG :: 1.779 HD11 :: 1.072 HD12 :: 1.072 HD13 :: 1.072 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 :: 118.809 Ave N Shift Values>> N :: 121.86(3.9) 1.L105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 L 0.45 R 0.02 C Shift Assignments>> C :: 180.141 CA :: 57.884 CB :: 41.237 CG :: 27.612 CD1 :: 23.337 CD2 :: 25.463 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 :: 8.584 HA :: 3.985 HB2 :: 1.976 HB3 :: 1.340 HG :: 1.746 HD11 :: 0.592 HD12 :: 0.592 HD13 :: 0.592 HD21 :: 0.816 HD22 :: 0.816 HD23 :: 0.816 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 :: 117.021 Ave N Shift Values>> N :: 121.86(3.9) 1.K106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 K 0.4 R 0.15 C Shift Assignments>> C :: 178.267 CA :: 59.135 CB :: 31.913 CG :: 25.362 CD :: 28.794 CE :: 42.165 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 :: 7.943 HA :: 3.951 HB2 :: 1.920 HB3 :: 1.920 HG2 :: 1.480 HG3 :: 1.480 HD2 :: 1.699 HD3 :: 1.699 HE2 :: 2.962 HE3 :: 2.962 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 :: 120.590 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.52 M 0.4 C 0.03 I 0.02 C Shift Assignments>> C :: 179.700 CA :: 54.889 CB :: 18.665 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.896 HA :: 4.092 HB1 :: 1.332 HB2 :: 1.332 HB3 :: 1.332 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.673 Ave N Shift Values>> N :: 123.23(3.54) 1.I108 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Suspicious PRTL>> I 0.65 C 0.34 C Shift Assignments>> C :: 176.516 CA :: 63.326 CB :: 37.048 CG1 :: 25.138 CG2 :: 16.079 CD1 :: 14.139 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 :: 7.770 HA :: 3.890 HB :: 1.839 HG12 :: 1.229 HG13 :: 1.645 HG21 :: 0.701 HG22 :: 0.701 HG23 :: 0.701 HD11 :: 0.684 HD12 :: 0.684 HD13 :: 0.684 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 :: 106.997(S) Ave N Shift Values>> N :: 121.46(4.28) 1.T109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.95 C 0.04 HN Overlap>> 1.S38 1.S38 C Shift Assignments>> C :: 175.259 CA :: 64.054 CB :: 69.231 CG2 :: 21.298 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 :: 7.430 HA :: 4.164 HB :: 4.164 HG21 :: 1.079 HG22 :: 1.079 HG23 :: 1.079 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 :: 113.535 Ave N Shift Values>> N :: 115.42(4.75) 1.Y110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.6 C 0.39 C Shift Assignments>> C :: 176.112 CA :: 59.007 CB :: 37.985 CD1 :: 133.225 CD2 :: 133.225 CE1 :: 118.234 CE2 :: 118.234 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 :: 7.599 HA :: 4.490 HB2 :: 3.105 HB3 :: 3.105 HD1 :: 7.186 HD2 :: 7.186 HE1 :: 6.871 HE2 :: 6.871 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 :: 121.899 Ave N Shift Values>> N :: 120.52(4.2) 1.A111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.84 M 0.12 C 0.02 C Shift Assignments>> C :: 177.552 CA :: 53.027 CB :: 19.253 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.854 HA :: 4.257 HB1 :: 1.499 HB2 :: 1.499 HB3 :: 1.499 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.545 Ave N Shift Values>> N :: 123.23(3.54) 1.K112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.45 C 0.4 R 0.13 HN Overlap>> 1.R45 1.R45 1.V36 1.V36 C Shift Assignments>> C :: 177.075 CA :: 56.714 CB :: 32.873 CG :: 24.729 CD :: 28.942 CE :: 42.134 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 :: 8.001 HA :: 4.259 HB2 :: 1.742 HB3 :: 1.742 HG2 :: 1.468 HG3 :: 1.468 HD2 :: 1.709 HD3 :: 1.709 HE2 :: 3.015 HE3 :: 3.015 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 :: 119.234 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.82 L 0.1 C 0.03 R 0.01 F 0.01 C Shift Assignments>> C :: 173.980 CA :: 45.220 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.176 HA2 :: 3.917 HA3 :: 3.917 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.814 Ave N Shift Values>> N :: 109.67(3.87) 1.F114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.4 Y 0.38 C 0.2 HN Overlap>> 1.M116 1.M116 C Shift Assignments>> C :: 176.367 CA :: 58.144 CB :: 39.441 CD1 :: 131.926 CD2 :: 131.926 CE1 :: 131.381 CE2 :: 131.381 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 :: 8.121 HA :: 4.610 HB2 :: 3.209 HB3 :: 3.055 HD1 :: 7.234 HD2 :: 7.234 HE1 :: 7.346 HE2 :: 7.346 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 :: 119.710 Ave N Shift Values>> N :: 120.45(4.18) 1.G115 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 :: 173.889 CA :: 45.394 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.390 HA2 :: 3.899 HA3 :: 3.899 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.497 Ave N Shift Values>> N :: 109.67(3.87) 1.M116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.5 C 0.35 A 0.14 HN Overlap>> 1.F114 1.F114 C Shift Assignments>> C :: 175.196 CA :: 55.512 CB :: 33.106 CG :: 32.064 CE :: 17.101 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 :: 8.050 HA :: 4.512 HB2 :: 2.135 HB3 :: 2.003 HG2 :: 2.587 HG3 :: 2.526 HE1 :: 2.105 HE2 :: 2.105 HE3 :: 2.105 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 :: 119.715 Ave N Shift Values>> N :: 120.09(3.57) 1.L117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.49 C 0.32 R 0.1 G 0.07 C Shift Assignments>> C :: 182.346 CA :: 56.818 CB :: 43.420 CG :: 27.320 CD1 :: 25.316 CD2 :: 23.627 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 :: 7.873 HA :: 4.213 HB2 :: 1.625 HB3 :: 1.625 HG :: 1.608 HD11 :: 0.918 HD12 :: 0.918 HD13 :: 0.918 HD21 :: 0.878 HD22 :: 0.878 HD23 :: 0.878 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 :: 128.828 Ave N Shift Values>> N :: 121.86(3.9) ########################################################################### Overall Results: #Consistent: 109 #Clerical: 0 #Suspicious: 7 #Anomalous: 1 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 116 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 1 Shift Relative Order (SRO) Results: #Consistent: 117 #Suspicious: 0 C Shift Results: #Consistent: 522 #Duplicate: 0 #Unknown: 0 #Suspicious: 2 #Anomalous: 0 H Shift Results: #Consistent: 806 #Duplicate: 0 #Unknown: 0 #Suspicious: 15 #Anomalous: 1 N Shift Results: #Consistent: 117 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 Error Summary: 1.E13 HB3 = 0.746(S), Expected = 1.99, Std = 0.2300, ChiSquare = 6.3485e-08 1.E13 HG2 = 1.377(S), Expected = 2.27, Std = 0.2100, ChiSquare = 2.1151e-05 1.E13 HG3 = 0.425(A), Expected = 2.25, Std = 0.2200, ChiSquare = 1.0817e-16 1.I29 CD1 = 7.363(S), Expected = 13.43, Std = 1.6700, ChiSquare = 2.8022e-04 1.F32 HD1 = 5.909(S), Expected = 7.06, Std = 0.3100, ChiSquare = 2.0490e-04 1.F32 HD2 = 5.909(S), Expected = 7.06, Std = 0.3100, ChiSquare = 2.0490e-04 1.F32 HE1 = 5.842(S), Expected = 7.08, Std = 0.3100, ChiSquare = 6.5092e-05 1.F32 HE2 = 5.842(S), Expected = 7.08, Std = 0.3200, ChiSquare = 1.0939e-04 1.V36 HA = 1.869(S), Expected = 4.19, Std = 0.5800, ChiSquare = 6.2883e-05 1.V36 HG11 = -0.040(S), Expected = 0.83, Std = 0.2600, ChiSquare = 8.1941e-04 1.V36 HG12 = -0.040(S), Expected = 0.83, Std = 0.2600, ChiSquare = 8.1941e-04 1.V36 HG13 = -0.040(S), Expected = 0.83, Std = 0.2600, ChiSquare = 8.1941e-04 1.V36 HG21 = -0.478(S), Expected = 0.80, Std = 0.2800, ChiSquare = 5.0120e-06 1.V36 HG22 = -0.478(S), Expected = 0.80, Std = 0.2800, ChiSquare = 5.0120e-06 1.V36 HG23 = -0.478(S), Expected = 0.80, Std = 0.2800, ChiSquare = 5.0120e-06 1.K44 CG = 28.702(S), Expected = 24.89, Std = 1.1300, ChiSquare = 7.4232e-04 1.K71 HB3 = -0.244(S), Expected = 1.74, Std = 0.2700, ChiSquare = 2.0097e-13 1.P92 HB3 = 0.333(S), Expected = 2.00, Std = 0.3600, ChiSquare = 3.6469e-06 1.I108 N = 106.997(S), Expected = 121.46, Std = 4.2800, ChiSquare = 7.2696e-04