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.H3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> R 0.15 H 0.14 E 0.13 W 0.13 C 0.13 Q 0.11 M 0.08 K 0.07 V 0.01 C Shift Assignments>> C :: 175.351 CA :: 56.827 CB :: 30.626 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>> HA :: 4.498 HB2 :: 2.982 HB3 :: 2.982 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.M4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.5 C 0.31 Q 0.14 K 0.02 C Shift Assignments>> C :: 175.955 CA :: 54.955 CB :: 32.600 CG :: 31.884 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 :: 8.222 HA :: 4.525 HB2 :: 1.821 HB3 :: 1.901 HG2 :: 2.390 HG3 :: 2.301 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 :: 122.348 Ave N Shift Values>> N :: 120.09(3.57) 1.G5 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>> C :: 172.398 CA :: 45.261 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.964 HA2 :: 3.915 HA3 :: 3.915 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.052 Ave N Shift Values>> N :: 109.67(3.87) 1.T6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.94 T 0.04 HN Overlap>> 1.H91 1.L126 1.H91 1.L126 C Shift Assignments>> C :: 174.310 CA :: 61.268 CB :: 68.489 CG2 :: 24.996 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 :: 7.915 HA :: 5.071 HB :: 3.976 HG21 :: 1.073 HG22 :: 1.073 HG23 :: 1.073 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 :: 118.825 Ave N Shift Values>> N :: 115.42(4.75) 1.V7 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.94 I 0.03 A 0.01 C Shift Assignments>> C :: 173.733 CA :: 58.740 CB :: 35.638 CG1 :: 20.566 CG2 :: 15.892(S) 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 :: 9.071 HA :: 4.194 HB :: 0.891(S) HG11 :: 0.043 HG12 :: 0.043 HG13 :: 0.043 HG21 :: -1.016(S) HG22 :: -1.016(S) HG23 :: -1.016(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 :: 121.830 Ave N Shift Values>> N :: 121.14(4.54) 1.S8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.253 CA :: 56.000 CB :: 63.136 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.195 HA :: 4.853 HB2 :: 3.372 HB3 :: 3.110 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 :: 113.471 Ave N Shift Values>> N :: 116.28(3.52) 1.W9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.23 C 0.2 P 0.11 K 0.1 H 0.09 Q 0.08 R 0.08 W 0.04 E 0.01 C Shift Assignments>> C :: 177.167 CA :: 52.276 CB :: 32.692 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 :: 7.678 HA :: 5.350 HB2 :: 2.849 HB3 :: 3.097 HE1 :: 9.937 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 :: 125.209 NE1 :: 127.505 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.N10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.68 D 0.1 C 0.09 Y 0.03 F 0.03 L 0.02 C Shift Assignments>> C :: 175.415 CA :: 51.518 CB :: 38.295 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 :: 9.327 HA :: 4.634 HB2 :: 3.225 HB3 :: 2.880 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 :: 120.978 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 L 0.36 R 0.08 K 0.01 HN Overlap>> 1.V113 1.V113 C Shift Assignments>> C :: 178.334 CA :: 58.622 CB :: 41.476 CG :: 27.371 CD1 :: 27.032 CD2 :: 23.941 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 :: 8.519 HA :: 4.039 HB2 :: 1.740 HB3 :: 1.649 HG :: 1.646 HD11 :: 1.032 HD12 :: 1.032 HD13 :: 1.032 HD21 :: 0.992 HD22 :: 0.992 HD23 :: 0.992 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 :: 119.300 Ave N Shift Values>> N :: 121.86(3.9) 1.R12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 R 0.39 G 0.06 K 0.02 C Shift Assignments>> C :: 179.814 CA :: 60.178 CB :: 29.222 CG :: 27.575 CD :: 43.071 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 :: 8.159 HA :: 3.780 HB2 :: 1.784 HB3 :: 1.784 HG2 :: 1.277 HG3 :: 1.277 HD2 :: 3.097 HD3 :: 3.097 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 :: 118.123 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.E13 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.39 E 0.32 I 0.23 K 0.03 C Shift Assignments>> C :: 179.999 CA :: 58.976 CB :: 29.224 CG :: 37.056 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 :: 8.382 HA :: 3.696 HB2 :: 2.125 HB3 :: 1.135(S) HG2 :: 1.806 HG3 :: 1.806 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 :: 120.947 Ave N Shift Values>> N :: 120.67(3.48) 1.M14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.85 M 0.1 Q 0.02 E 0.01 C Shift Assignments>> C :: 177.632 CA :: 60.942 CB :: 33.846 CG :: 33.608 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 :: 8.710 HA :: 3.897 HB2 :: 2.315 HB3 :: 2.315 HG2 :: 2.916 HG3 :: 2.916 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 :: 120.527 Ave N Shift Values>> N :: 120.09(3.57) 1.L15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.49 C 0.43 R 0.06 C Shift Assignments>> C :: 178.582 CA :: 57.946 CB :: 41.540 CG :: 27.321 CD1 :: 26.152 CD2 :: 23.499 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 :: 8.740 HA :: 4.026 HB2 :: 1.883 HB3 :: 1.607 HG :: 1.911 HD11 :: 0.843 HD12 :: 0.843 HD13 :: 0.843 HD21 :: 1.198 HD22 :: 1.198 HD23 :: 1.198 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 :: 118.145 Ave N Shift Values>> N :: 121.86(3.9) 1.A16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.59 A 0.34 I 0.03 C 0.02 C Shift Assignments>> C :: 180.330 CA :: 55.032 CB :: 17.643 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.903 HA :: 4.047 HB1 :: 1.299 HB2 :: 1.299 HB3 :: 1.299 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.341 Ave N Shift Values>> N :: 123.23(3.54) 1.H17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.19 W 0.16 I 0.15 K 0.11 E 0.1 Q 0.08 H 0.07 R 0.07 V 0.01 M 0.01 C Shift Assignments>> C :: 179.470 CA :: 59.816 CB :: 28.999 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 :: 7.862 HA :: 4.134 HB2 :: 3.115 HB3 :: 2.654 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 117.539 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.A18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.71 A 0.15 I 0.09 C 0.02 C Shift Assignments>> C :: 181.488 CA :: 56.223 CB :: 17.444 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.212 HA :: 3.695 HB1 :: 1.464 HB2 :: 1.464 HB3 :: 1.464 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.946 Ave N Shift Values>> N :: 123.23(3.54) 1.E19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 E 0.32 I 0.19 K 0.04 Q 0.01 M 0.01 C Shift Assignments>> C :: 178.263 CA :: 59.928 CB :: 29.780 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 :: 8.894 HA :: 3.656 HB2 :: 2.197 HB3 :: 2.002 HG2 :: 2.145 HG3 :: 2.414 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 :: 121.040 Ave N Shift Values>> N :: 120.67(3.48) 1.E20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 E 0.36 M 0.09 Q 0.05 I 0.04 K 0.03 C Shift Assignments>> C :: 178.201 CA :: 58.852 CB :: 30.748 CG :: 35.958 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 :: 7.731 HA :: 3.988 HB2 :: 2.037 HB3 :: 1.880 HG2 :: 2.249 HG3 :: 2.071 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 :: 116.616 Ave N Shift Values>> N :: 120.67(3.48) 1.T21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.9 C 0.09 C Shift Assignments>> C :: 175.904 CA :: 62.861 CB :: 71.492 CG2 :: 20.368 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 :: 7.761 HA :: 4.072 HB :: 3.967 HG21 :: 0.706 HG22 :: 0.706 HG23 :: 0.706 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 :: 105.440 Ave N Shift Values>> N :: 115.42(4.75) 1.R22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.69 C 0.28 K 0.01 C Shift Assignments>> C :: 174.992 CA :: 56.177 CB :: 25.225 CG :: 24.921 CD :: 41.834 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 :: 7.862 HA :: 3.904 HB2 :: 2.026 HB3 :: 1.952 HG2 :: 1.372 HG3 :: 1.274 HD2 :: 3.055 HD3 :: 3.084 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 :: 115.336 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.K23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 K 0.34 R 0.07 G 0.01 C Shift Assignments>> C :: 174.441 CA :: 57.267 CB :: 35.773 CG :: 25.058 CD :: 27.702 CE :: 42.103 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 :: 7.099 HA :: 3.899 HB2 :: 1.607 HB3 :: 0.984 HG2 :: 1.380 HG3 :: 1.380 HD2 :: 1.441 HD3 :: 1.441 HE2 :: 2.802 HE3 :: 2.677 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 :: 118.177 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.6 C 0.23 R 0.12 G 0.02 HN Overlap>> 1.L70 1.L70 C Shift Assignments>> C :: 175.756 CA :: 54.652 CB :: 42.632 CG :: 26.855 CD1 :: 26.387 CD2 :: 24.826 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 :: 4.132 HB2 :: 1.431 HB3 :: 1.642 HG :: 0.968 HD11 :: 0.605 HD12 :: 0.605 HD13 :: 0.605 HD21 :: 0.571 HD22 :: 0.571 HD23 :: 0.571 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 124.476 Ave N Shift Values>> N :: 121.86(3.9) 1.M25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.52 C 0.36 Q 0.06 E 0.03 C Shift Assignments>> C :: 174.685 CA :: 52.009 CB :: 34.677 CG :: 32.658 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 :: 9.077 HA :: 5.985 HB2 :: 1.353 HB3 :: 1.353 HG2 :: 2.214 HG3 :: 2.921 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 :: 128.960 Ave N Shift Values>> N :: 120.09(3.57) 1.P26 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> C 0.86 P 0.13 C Shift Assignments>> C :: 177.005 CA :: 61.778 CB :: 32.545 CG :: 29.247 CD :: 52.064 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 :: 5.756(S) HB2 :: 2.390 HB3 :: 2.144 HG2 :: 1.585 HG3 :: 1.568 HD2 :: 4.474 HD3 :: 3.893 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.V27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.69 V 0.3 C Shift Assignments>> C :: 173.089 CA :: 61.686 CB :: 36.921 CG1 :: 22.339 CG2 :: 21.470 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 :: 9.349 HA :: 4.137 HB :: 1.695 HG11 :: 0.875 HG12 :: 0.875 HG13 :: 0.875 HG21 :: 0.683 HG22 :: 0.683 HG23 :: 0.683 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 :: 126.122 Ave N Shift Values>> N :: 121.14(4.54) 1.C28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.23 L 0.19 C 0.14 Q 0.11 W 0.07 H 0.07 E 0.05 K 0.04 I 0.04 C Shift Assignments>> C :: 175.942 CA :: 56.879 CB :: 27.006 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.870 HA :: 3.483 HB2 :: 2.919 HB3 :: 2.605 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 :: 128.446 Ave N Shift Values>> N :: 120.17(4.64) 1.V29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.72 C 0.27 C Shift Assignments>> C :: 175.372 CA :: 63.871 CB :: 31.103 CG1 :: 22.216 CG2 :: 19.571 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 :: 8.787 HA :: 3.598 HB :: 1.939 HG11 :: 0.642 HG12 :: 0.642 HG13 :: 0.642 HG21 :: 0.661 HG22 :: 0.661 HG23 :: 0.661 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 124.265 Ave N Shift Values>> N :: 121.14(4.54) 1.E30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 E 0.36 I 0.16 K 0.04 C Shift Assignments>> C :: 177.015 CA :: 57.458 CB :: 28.993 CG :: 37.243 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 :: 7.553 HA :: 4.050 HB2 :: 2.114 HB3 :: 1.886 HG2 :: 2.378 HG3 :: 1.994 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 :: 116.879 Ave N Shift Values>> N :: 120.67(3.48) 1.T31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.63 S 0.18 T 0.18 C Shift Assignments>> C :: 174.823 CA :: 61.266 CB :: 66.735 CG2 :: 23.687 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 :: 7.872 HA :: 4.297 HB :: 4.266 HG21 :: 1.273 HG22 :: 1.273 HG23 :: 1.273 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 :: 117.654 Ave N Shift Values>> N :: 115.42(4.75) 1.K32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 K 0.25 R 0.18 G 0.06 C Shift Assignments>> C :: 178.323 CA :: 59.980 CB :: 32.112 CG :: 24.860 CD :: 28.976 CE :: 43.244 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 :: 8.112 HA :: 3.749 HB2 :: 1.752 HB3 :: 1.752 HG2 :: 1.348 HG3 :: 1.460 HD2 :: 1.573 HD3 :: 1.573 HE2 :: 2.971 HE3 :: 2.971 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 129.501 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> M 0.5 A 0.41 I 0.03 C 0.03 C Shift Assignments>> C :: 180.317 CA :: 55.332 CB :: 18.486 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> HA :: 4.032 HB1 :: 1.353 HB2 :: 1.353 HB3 :: 1.353 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) 1.I34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.87 C 0.12 C Shift Assignments>> C :: 177.422 CA :: 64.571 CB :: 38.283 CG1 :: 28.337 CG2 :: 17.769 CD1 :: 13.678 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 :: 7.080 HA :: 3.764 HB :: 1.805 HG12 :: 1.121 HG13 :: 1.681 HG21 :: 0.953 HG22 :: 0.953 HG23 :: 0.953 HD11 :: 1.036 HD12 :: 1.036 HD13 :: 1.036 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 :: 115.906 Ave N Shift Values>> N :: 121.46(4.28) 1.V35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.94 C 0.05 HN Overlap>> 1.T65 1.T65 C Shift Assignments>> C :: 177.527 CA :: 67.752 CB :: 31.628 CG1 :: 23.019 CG2 :: 21.424 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 :: 7.534 HA :: 3.225 HB :: 1.802 HG11 :: 0.830 HG12 :: 0.830 HG13 :: 0.830 HG21 :: 0.669 HG22 :: 0.669 HG23 :: 0.669 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 :: 119.535 Ave N Shift Values>> N :: 121.14(4.54) 1.S36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.602 CA :: 61.636 CB :: 62.802 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.666 HA :: 4.212 HB2 :: 3.820 HB3 :: 3.820 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 :: 113.550 Ave N Shift Values>> N :: 116.28(3.52) 1.T37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.97 C 0.02 C Shift Assignments>> C :: 176.358 CA :: 67.247 CB :: 68.368 CG2 :: 21.081 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 :: 7.252 HA :: 3.798 HB :: 4.290 HG21 :: 1.053 HG22 :: 1.053 HG23 :: 1.053 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 :: 119.126 Ave N Shift Values>> N :: 115.42(4.75) 1.I38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.72 C 0.27 HN Overlap>> 1.S129 1.S129 C Shift Assignments>> C :: 176.861 CA :: 66.787 CB :: 38.447 CG1 :: 30.478 CG2 :: 18.035 CD1 :: 16.185 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 :: 8.092 HA :: 3.535 HB :: 1.904 HG12 :: 1.013 HG13 :: 1.829 HG21 :: 0.819 HG22 :: 0.819 HG23 :: 0.819 HD11 :: 0.554 HD12 :: 0.554 HD13 :: 0.554 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 :: 123.091 Ave N Shift Values>> N :: 121.46(4.28) 1.Q39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.32 E 0.26 K 0.15 Q 0.14 I 0.07 M 0.01 C Shift Assignments>> C :: 177.529 CA :: 58.920 CB :: 29.140 CG :: 35.271 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 :: 8.507 HA :: 3.808 HB2 :: 2.091 HB3 :: 1.864 HG2 :: 2.330 HG3 :: 2.032 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 :: 116.792 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.R40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.43 C 0.42 K 0.07 G 0.06 C Shift Assignments>> C :: 177.233 CA :: 58.017 CB :: 30.488 CG :: 27.691 CD :: 43.352 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 :: 7.488 HA :: 4.031 HB2 :: 1.776 HB3 :: 1.796 HG2 :: 1.534 HG3 :: 1.534 HD2 :: 3.096 HD3 :: 3.096 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 :: 115.966 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.K41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 K 0.44 R 0.09 HN Overlap>> 1.Y59 1.Y59 C Shift Assignments>> C :: 176.857 CA :: 58.305 CB :: 33.167 CG :: 24.891 CD :: 28.994 CE :: 42.106 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 :: 7.821 HA :: 3.876 HB2 :: 1.443 HB3 :: 1.164 HG2 :: 0.538 HG3 :: 0.841 HD2 :: 1.369 HD3 :: 1.271 HE2 :: 2.794 HE3 :: 2.794 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 :: 119.343 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Y42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.23 E 0.22 N 0.19 M 0.11 Y 0.09 F 0.05 K 0.03 D 0.01 Q 0.01 I 0.01 C Shift Assignments>> C :: 174.265 CA :: 54.727 CB :: 36.586 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 :: 8.243 HA :: 4.917 HB2 :: 3.035 HB3 :: 3.009 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 :: 120.909 Ave N Shift Values>> N :: 120.52(4.2) 1.K43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 K 0.43 R 0.11 C Shift Assignments>> C :: 179.399 CA :: 58.540 CB :: 32.042 CG :: 24.790 CD :: 29.258 CE :: 42.172 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 :: 7.587 HA :: 4.108 HB2 :: 1.775 HB3 :: 1.727 HG2 :: 1.454 HG3 :: 1.378 HD2 :: 1.665 HD3 :: 1.682 HE2 :: 2.969 HE3 :: 2.969 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 :: 120.136 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.72 L 0.15 R 0.04 C 0.03 F 0.01 D 0.01 C Shift Assignments>> C :: 174.170 CA :: 44.924 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> HA2 :: 4.224 HA3 :: 3.602 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) 1.I45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.62 C 0.37 C Shift Assignments>> C :: 172.960 CA :: 62.212 CB :: 38.295 CG1 :: 29.420 CG2 :: 16.134 CD1 :: 14.813 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 :: 7.785 HA :: 2.506 HB :: 1.871 HG12 :: 0.699 HG13 :: 1.156 HG21 :: 0.810 HG22 :: 0.810 HG23 :: 0.810 HD11 :: 1.026 HD12 :: 1.026 HD13 :: 1.026 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 :: 122.628 Ave N Shift Values>> N :: 121.46(4.28) 1.K46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.51 C 0.28 R 0.18 G 0.01 C Shift Assignments>> C :: 174.718 CA :: 54.221 CB :: 31.990 CG :: 24.606 CD :: 28.953 CE :: 42.276 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 :: 7.833 HA :: 4.275 HB2 :: 1.550 HB3 :: 1.475 HG2 :: 1.055 HG3 :: 1.199 HD2 :: 1.502 HD3 :: 1.502 HE2 :: 2.836 HE3 :: 2.836 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 :: 128.564 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I47 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.6 I 0.39 C Shift Assignments>> C :: 174.717 CA :: 62.047 CB :: 35.474 CG1 :: 27.045 CG2 :: 15.183 CD1 :: 12.406 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 :: 8.193 HA :: 2.984 HB :: 1.328 HG12 :: 0.529 HG13 :: 1.031 HG21 :: -0.435(S) HG22 :: -0.435(S) HG23 :: -0.435(S) HD11 :: 0.247 HD12 :: 0.247 HD13 :: 0.247 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 :: 124.931 Ave N Shift Values>> N :: 121.46(4.28) 1.Q48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.48 C 0.3 Q 0.13 K 0.07 C Shift Assignments>> C :: 172.265 CA :: 53.090 CB :: 31.090 CG :: 32.198 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 :: 6.666 HA :: 4.248 HB2 :: 1.904 HB3 :: 1.749 HG2 :: 1.941 HG3 :: 2.014 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 :: 124.513 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.E49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 E 0.24 I 0.14 M 0.03 C Shift Assignments>> C :: 177.145 CA :: 58.330 CB :: 30.454 CG :: 38.014 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 :: 8.265 HA :: 3.714 HB2 :: 1.976 HB3 :: 1.760 HG2 :: 2.010 HG3 :: 2.200 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 :: 117.308 Ave N Shift Values>> N :: 120.67(3.48) 1.G50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.4 L 0.28 D 0.07 K 0.05 F 0.05 G 0.03 Y 0.03 C 0.03 I 0.01 C Shift Assignments>> C :: 172.849 CA :: 43.097 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.974 HA2 :: 2.962 HA3 :: 4.299 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.907 Ave N Shift Values>> N :: 109.67(3.87) 1.V51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.7 C 0.29 C Shift Assignments>> C :: 177.990 CA :: 63.249 CB :: 32.226 CG1 :: 22.975 CG2 :: 20.387 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 :: 8.438 HA :: 4.742 HB :: 1.935 HG11 :: 0.831 HG12 :: 0.831 HG13 :: 0.831 HG21 :: 0.794 HG22 :: 0.794 HG23 :: 0.794 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 :: 119.744 Ave N Shift Values>> N :: 121.14(4.54) 1.V52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 V 0.44 C Shift Assignments>> C :: 172.739 CA :: 62.754 CB :: 36.246 CG1 :: 23.010 CG2 :: 21.120 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 :: 9.200 HA :: 4.123 HB :: 2.238 HG11 :: 1.192 HG12 :: 1.192 HG13 :: 1.192 HG21 :: 1.107 HG22 :: 1.107 HG23 :: 1.107 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 :: 131.502 Ave N Shift Values>> N :: 121.14(4.54) 1.D53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.37 N 0.28 L 0.15 C 0.05 F 0.05 Y 0.03 K 0.03 C Shift Assignments>> C :: 175.145 CA :: 52.061 CB :: 40.853 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 :: 8.768 HA :: 4.996 HB2 :: 2.986 HB3 :: 2.036 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 :: 127.428 Ave N Shift Values>> N :: 120.65(3.86) 1.Y54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.28 F 0.22 C 0.2 I 0.2 E 0.04 C Shift Assignments>> C :: 173.666 CA :: 58.988 CB :: 38.281 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 :: 8.737 HA :: 4.178 HB2 :: 3.122 HB3 :: 2.647 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 :: 128.807 Ave N Shift Values>> N :: 120.52(4.2) 1.G55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.06 C 0.04 C Shift Assignments>> C :: 175.209 CA :: 46.379 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.330 HA2 :: 3.893 HA3 :: 2.881 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 117.132 Ave N Shift Values>> N :: 109.67(3.87) 1.A56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.95 M 0.02 C 0.01 C Shift Assignments>> C :: 171.809 CA :: 50.038 CB :: 19.430 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.316 HA :: 3.852 HB1 :: 0.586 HB2 :: 0.586 HB3 :: 0.586 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.140 Ave N Shift Values>> N :: 123.23(3.54) 1.R57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 R 0.35 K 0.2 G 0.04 C Shift Assignments>> C :: 173.294 CA :: 55.769 CB :: 30.272 CG :: 29.011 CD :: 43.045 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 :: 8.757 HA :: 4.400 HB2 :: 1.379 HB3 :: 1.067 HG2 :: 1.507 HG3 :: 1.507 HD2 :: 2.795 HD3 :: 2.795 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 :: 119.655 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.F58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.31 L 0.29 D 0.09 K 0.07 F 0.07 C 0.05 Y 0.04 G 0.03 C Shift Assignments>> C :: 175.559 CA :: 56.042 CB :: 43.252 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 :: 8.696 HA :: 5.068 HB2 :: 2.109 HB3 :: 2.109 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 :: 121.995 Ave N Shift Values>> N :: 120.45(4.18) 1.Y59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.27 Y 0.24 C 0.12 D 0.12 L 0.11 I 0.05 K 0.03 N 0.02 HN Overlap>> 1.K41 1.K41 C Shift Assignments>> C :: 175.471 CA :: 57.234 CB :: 40.194 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 :: 7.813 HA :: 4.673 HB2 :: 2.665 HB3 :: 2.381 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 :: 119.301 Ave N Shift Values>> N :: 120.52(4.2) 1.F60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.3 F 0.25 C 0.18 I 0.11 D 0.03 E 0.03 L 0.02 N 0.02 C Shift Assignments>> C :: 176.225 CA :: 57.843 CB :: 38.660 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 :: 8.842 HA :: 5.622 HB2 :: 3.497 HB3 :: 2.385 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 :: 128.100 Ave N Shift Values>> N :: 120.45(4.18) 1.Y61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.27 D 0.21 K 0.18 R 0.1 F 0.08 Y 0.05 C 0.04 N 0.02 HN Overlap>> 1.E97 1.L95 1.E97 1.L95 C Shift Assignments>> C :: 173.332 CA :: 55.020 CB :: 42.098 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 :: 8.664 HA :: 5.345 HB2 :: 3.303 HB3 :: 2.966 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 :: 118.620 Ave N Shift Values>> N :: 120.52(4.2) 1.T62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.73 C 0.24 A 0.01 C Shift Assignments>> C :: 175.211 CA :: 59.054 CB :: 70.970 CG2 :: 20.505 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 :: 8.736 HA :: 5.018 HB :: 4.432 HG21 :: 1.142 HG22 :: 1.142 HG23 :: 1.142 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 :: 111.973 Ave N Shift Values>> N :: 115.42(4.75) 1.S63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.214 CA :: 59.767 CB :: 62.456 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.635 HA :: 3.708 HB2 :: 3.307 HB3 :: 3.373 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 :: 118.028 Ave N Shift Values>> N :: 116.28(3.52) 1.K64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.41 C 0.39 R 0.18 C Shift Assignments>> C :: 177.982 CA :: 57.413 CB :: 32.036 CG :: 24.887 CD :: 28.945 CE :: 42.251 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 :: 8.057 HA :: 4.070 HB2 :: 1.816 HB3 :: 1.630 HG2 :: 1.389 HG3 :: 1.329 HD2 :: 1.506 HD3 :: 1.664 HE2 :: 2.895 HE3 :: 2.895 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 :: 120.644 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.T65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.89 C 0.1 HN Overlap>> 1.V35 1.V35 C Shift Assignments>> C :: 173.732 CA :: 62.446 CB :: 69.812 CG2 :: 22.333 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 :: 7.619 HA :: 4.301 HB :: 4.328 HG21 :: 1.355 HG22 :: 1.355 HG23 :: 1.355 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 :: 119.572 Ave N Shift Values>> N :: 115.42(4.75) 1.T66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.88 C 0.11 C Shift Assignments>> C :: 174.957 CA :: 61.564 CB :: 69.932 CG2 :: 21.948 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 :: 8.721 HA :: 4.210 HB :: 4.569 HG21 :: 1.363 HG22 :: 1.363 HG23 :: 1.363 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 :: 118.019 Ave N Shift Values>> N :: 115.42(4.75) 1.V67 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> V 0.89 C 0.1 HN Overlap>> 1.L74 1.L74 C Shift Assignments>> C :: 177.296 CA :: 66.707 CB :: 30.121 CG1 :: 22.159 CG2 :: 21.860 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 :: 8.413 HA :: 2.785 HB :: 0.663(S) HG11 :: 0.018 HG12 :: 0.018 HG13 :: 0.018 HG21 :: -0.048 HG22 :: -0.048 HG23 :: -0.048 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 :: 121.251 Ave N Shift Values>> N :: 121.14(4.54) 1.A68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.5 A 0.41 I 0.03 C 0.03 C Shift Assignments>> C :: 180.236 CA :: 55.220 CB :: 18.354 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.086 HA :: 3.858 HB1 :: 1.354 HB2 :: 1.354 HB3 :: 1.354 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 118.330 Ave N Shift Values>> N :: 123.23(3.54) 1.S69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 180.273 CA :: 61.233 CB :: 63.037 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.641 HA :: 4.092 HB2 :: 3.834 HB3 :: 3.858 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 :: 113.420 Ave N Shift Values>> N :: 116.28(3.52) 1.L70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.6 C 0.37 HN Overlap>> 1.L24 1.L24 C Shift Assignments>> C :: 178.024 CA :: 57.839 CB :: 41.776 CG :: 26.028 CD1 :: 25.008 CD2 :: 23.616 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 :: 8.190 HA :: 3.822 HB2 :: 1.511 HB3 :: 1.205 HG :: 1.091 HD11 :: -0.001 HD12 :: -0.001 HD13 :: -0.001 HD21 :: 0.339 HD22 :: 0.339 HD23 :: 0.339 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 124.400 Ave N Shift Values>> N :: 121.86(3.9) 1.I71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.78 C 0.21 C Shift Assignments>> C :: 177.227 CA :: 65.080 CB :: 36.892 CG1 :: 30.055 CG2 :: 16.627 CD1 :: 13.018 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 :: 8.278 HA :: 3.195 HB :: 1.788 HG12 :: 1.382 HG13 :: 0.931 HG21 :: 0.648 HG22 :: 0.648 HG23 :: 0.648 HD11 :: 0.547 HD12 :: 0.547 HD13 :: 0.547 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 :: 118.144 Ave N Shift Values>> N :: 121.46(4.28) 1.N72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.25 C 0.21 F 0.19 E 0.09 N 0.07 I 0.06 D 0.04 M 0.02 L 0.02 HN Overlap>> 1.S128 1.S128 C Shift Assignments>> C :: 177.730 CA :: 56.767 CB :: 37.981 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 :: 7.726 HA :: 4.315 HB2 :: 2.885 HB3 :: 2.796 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 :: 117.722 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.T73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.97 C 0.02 C Shift Assignments>> C :: 177.685 CA :: 67.101 CB :: 68.724 CG2 :: 20.543 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 :: 8.368 HA :: 3.772 HB :: 4.088 HG21 :: 1.032 HG22 :: 1.032 HG23 :: 1.032 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 :: 118.237 Ave N Shift Values>> N :: 115.42(4.75) 1.L74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.62 L 0.34 A 0.03 HN Overlap>> 1.V67 1.V67 C Shift Assignments>> C :: 180.031 CA :: 57.771 CB :: 40.381 CG :: 26.606 CD1 :: 26.244 CD2 :: 21.253 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 :: 8.375 HA :: 3.696 HB2 :: 1.566 HB3 :: 1.045 HG :: 1.422 HD11 :: 0.422 HD12 :: 0.422 HD13 :: 0.422 HD21 :: 0.170 HD22 :: 0.170 HD23 :: 0.170 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 :: 121.225 Ave N Shift Values>> N :: 121.86(3.9) 1.N75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.22 E 0.19 N 0.18 Y 0.14 F 0.09 M 0.07 D 0.02 I 0.02 K 0.01 L 0.01 C Shift Assignments>> C :: 178.468 CA :: 55.339 CB :: 37.152 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 :: 8.847 HA :: 4.529 HB2 :: 3.038 HB3 :: 2.638 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 :: 120.706 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>> F 0.23 Y 0.2 D 0.16 L 0.15 C 0.1 K 0.06 N 0.03 I 0.03 C Shift Assignments>> C :: 178.574 CA :: 56.689 CB :: 40.496 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 :: 7.782 HA :: 4.303 HB2 :: 2.751 HB3 :: 2.579 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 :: 120.922 Ave N Shift Values>> N :: 120.65(3.86) 1.L77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.56 C 0.39 R 0.03 C Shift Assignments>> C :: 179.011 CA :: 57.456 CB :: 41.637 CG :: 26.560 CD1 :: 25.997 CD2 :: 23.028 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 :: 7.924 HA :: 3.959 HB2 :: 1.822 HB3 :: 1.328 HG :: 1.672 HD11 :: 0.571 HD12 :: 0.571 HD13 :: 0.571 HD21 :: 0.790 HD22 :: 0.790 HD23 :: 0.790 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 :: 120.176 Ave N Shift Values>> N :: 121.86(3.9) 1.N78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.43 C 0.14 Y 0.11 D 0.09 F 0.09 E 0.04 L 0.02 M 0.02 C Shift Assignments>> C :: 174.024 CA :: 54.124 CB :: 38.016 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 :: 7.569 HA :: 4.209 HB2 :: 3.180 HB3 :: 2.226 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 :: 111.617 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.E79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 E 0.37 M 0.17 I 0.01 Q 0.01 C Shift Assignments>> C :: 175.887 CA :: 55.806 CB :: 31.255 CG :: 37.033 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 :: 8.678 HA :: 4.423 HB2 :: 2.033 HB3 :: 1.716 HG2 :: 2.043 HG3 :: 1.988 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.822 Ave N Shift Values>> N :: 120.67(3.48) 1.T80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.91 C 0.08 C Shift Assignments>> C :: 175.906 CA :: 63.331 CB :: 69.052 CG2 :: 22.341 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 :: 8.418 HA :: 4.322 HB :: 3.933 HG21 :: 1.110 HG22 :: 1.110 HG23 :: 1.110 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 :: 117.741 Ave N Shift Values>> N :: 115.42(4.75) 1.L81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.58 G 0.34 L 0.05 A 0.01 C Shift Assignments>> C :: 179.492 CA :: 53.738 CB :: 47.135 CG :: 26.662 CD1 :: 28.248 CD2 :: 24.671 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 :: 8.305 HA :: 5.725 HB2 :: 1.639 HB3 :: 1.141 HG :: 1.970 HD11 :: 0.710 HD12 :: 0.710 HD13 :: 0.710 HD21 :: 0.778 HD22 :: 0.778 HD23 :: 0.778 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 :: 122.160 Ave N Shift Values>> N :: 121.86(3.9) 1.V82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 V 0.47 C Shift Assignments>> C :: 172.819 CA :: 60.480 CB :: 34.019 CG1 :: 22.109 CG2 :: 19.714 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 :: 8.323 HA :: 5.006 HB :: 1.914 HG11 :: 1.053 HG12 :: 1.053 HG13 :: 1.053 HG21 :: 0.979 HG22 :: 0.979 HG23 :: 0.979 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 :: 120.669 Ave N Shift Values>> N :: 121.14(4.54) 1.T83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.75 C 0.23 C Shift Assignments>> C :: 172.691 CA :: 59.446 CB :: 71.188 CG2 :: 20.429 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 :: 8.712 HA :: 5.114 HB :: 3.490 HG21 :: 0.809 HG22 :: 0.809 HG23 :: 0.809 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 :: 117.422 Ave N Shift Values>> N :: 115.42(4.75) 1.M84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.4 C 0.36 Q 0.18 K 0.01 E 0.01 C Shift Assignments>> C :: 174.713 CA :: 55.776 CB :: 32.068 CG :: 33.041 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 :: 8.409 HA :: 5.309 HB2 :: 2.381 HB3 :: 2.300 HG2 :: 2.855 HG3 :: 2.567 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 :: 125.815 Ave N Shift Values>> N :: 120.09(3.57) 1.P85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.72 C 0.27 C Shift Assignments>> C :: 176.835 CA :: 63.734 CB :: 31.212 CG :: 28.633 CD :: 49.901 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 :: 3.994 HB2 :: 1.918 HB3 :: 1.681 HG2 :: 1.591 HG3 :: 1.119 HD2 :: 3.357 HD3 :: 3.868 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.L86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 L 0.44 A 0.04 C Shift Assignments>> C :: 174.253 CA :: 56.864 CB :: 41.086 CG :: 25.867 CD1 :: 22.607 CD2 :: 21.928 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 :: 8.332 HA :: 3.842 HB2 :: 1.572 HB3 :: 0.685 HG :: 1.647 HD11 :: 0.679 HD12 :: 0.679 HD13 :: 0.679 HD21 :: 0.688 HD22 :: 0.688 HD23 :: 0.688 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 :: 131.448 Ave N Shift Values>> N :: 121.86(3.9) 1.G87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 L 0.1 C 0.03 R 0.01 F 0.01 C Shift Assignments>> C :: 175.419 CA :: 45.214 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.652 HA2 :: 3.976 HA3 :: 3.454 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.018 Ave N Shift Values>> N :: 109.67(3.87) 1.Y88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.3 F 0.26 C 0.17 I 0.1 D 0.05 L 0.03 N 0.03 E 0.02 C Shift Assignments>> C :: 177.638 CA :: 57.583 CB :: 38.831 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 :: 7.028 HA :: 4.358 HB2 :: 2.975 HB3 :: 2.573 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 :: 121.962 Ave N Shift Values>> N :: 120.52(4.2) 1.V89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.97 C 0.02 C Shift Assignments>> C :: 180.579 CA :: 70.327 CB :: 30.488 CG1 :: 21.478 CG2 :: 20.568 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 :: 8.767 HA :: 3.072 HB :: 2.452 HG11 :: 0.714 HG12 :: 0.714 HG13 :: 0.714 HG21 :: 0.039 HG22 :: 0.039 HG23 :: 0.039 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 :: 127.148 Ave N Shift Values>> N :: 121.14(4.54) 1.T90 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 :: 175.59 CA :: 65.017 CB :: 68.393 CG2 :: 22.038 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 :: 9.478 HA :: 3.831 HB :: 4.295 HG21 :: 1.365 HG22 :: 1.365 HG23 :: 1.365 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 :: 117.994 Ave N Shift Values>> N :: 115.42(4.75) 1.H91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.15 H 0.15 K 0.12 R 0.12 W 0.12 E 0.12 C 0.11 M 0.05 HN Overlap>> 1.T6 1.T6 C Shift Assignments>> C :: 176.160 CA :: 55.545 CB :: 29.516 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 :: 7.817 HA :: 4.840 HB2 :: 3.443 HB3 :: 2.786 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 118.877 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.G92 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 :: 173.681 CA :: 45.554 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.787 HA2 :: 4.055 HA3 :: 3.702 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.421 Ave N Shift Values>> N :: 109.67(3.87) 1.L93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.73 C 0.2 A 0.03 R 0.01 G 0.01 C Shift Assignments>> C :: 178.757 CA :: 53.962 CB :: 42.073 CG :: 26.755 CD1 :: 24.896 CD2 :: 23.576 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 6.862 HA :: 4.708 HB2 :: 1.824 HB3 :: 1.507 HG :: 1.740 HD11 :: 0.895 HD12 :: 0.895 HD13 :: 0.895 HD21 :: 0.775 HD22 :: 0.775 HD23 :: 0.775 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 :: 114.993 Ave N Shift Values>> N :: 121.86(3.9) 1.N94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.7 C 0.11 D 0.07 Y 0.03 F 0.03 M 0.01 L 0.01 C Shift Assignments>> C :: 175.341 CA :: 51.466 CB :: 37.936 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 :: 9.243 HA :: 4.910 HB2 :: 2.937 HB3 :: 2.869 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 122.137 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.52 C 0.42 R 0.03 G 0.01 HN Overlap>> 1.E97 1.E97 1.Y61 1.Y61 C Shift Assignments>> C :: 177.318 CA :: 58.600 CB :: 42.148 CG :: 26.956 CD1 :: 25.145 CD2 :: 23.433 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 :: 8.647 HA :: 3.754 HB2 :: 1.850 HB3 :: 1.408 HG :: 1.747 HD11 :: 0.894 HD12 :: 0.894 HD13 :: 0.894 HD21 :: 0.560 HD22 :: 0.560 HD23 :: 0.560 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 :: 118.620 Ave N Shift Values>> N :: 121.86(3.9) 1.E96 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.37 E 0.25 I 0.2 K 0.09 Q 0.06 C Shift Assignments>> C :: 178.535 CA :: 59.665 CB :: 28.429 CG :: 35.772 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 :: 7.766 HA :: 2.891(S) HB2 :: 1.503 HB3 :: 0.668(S) HG2 :: 1.605 HG3 :: 1.387(S) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.126 Ave N Shift Values>> N :: 120.67(3.48) 1.E97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 E 0.35 M 0.08 I 0.05 HN Overlap>> 1.L95 1.Y61 1.L95 1.Y61 C Shift Assignments>> C :: 179.949 CA :: 58.641 CB :: 31.154 CG :: 36.955 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 :: 8.641 HA :: 3.749 HB2 :: 2.193 HB3 :: 1.904 HG2 :: 2.463 HG3 :: 2.148 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 :: 118.668 Ave N Shift Values>> N :: 120.67(3.48) 1.A98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.49 A 0.41 I 0.04 C 0.03 C Shift Assignments>> C :: 179.686 CA :: 55.387 CB :: 18.566 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.483 HA :: 4.271 HB1 :: 1.356 HB2 :: 1.356 HB3 :: 1.356 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.465 Ave N Shift Values>> N :: 123.23(3.54) 1.A99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.49 A 0.4 I 0.04 C 0.03 C Shift Assignments>> C :: 178.723 CA :: 55.386 CB :: 18.532 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.604 HA :: 3.850 HB1 :: 1.153 HB2 :: 1.153 HB3 :: 1.153 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.574 Ave N Shift Values>> N :: 123.23(3.54) 1.R100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 R 0.39 G 0.08 K 0.02 C Shift Assignments>> C :: 180.484 CA :: 59.959 CB :: 29.266 CG :: 27.614 CD :: 43.313 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 :: 7.546 HA :: 3.646 HB2 :: 1.781 HB3 :: 1.797 HG2 :: 1.640 HG3 :: 1.640 HD2 :: 2.956 HD3 :: 2.941 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 :: 115.017 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.Y101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.63 C 0.17 Y 0.09 F 0.08 C Shift Assignments>> C :: 179.006 CA :: 63.020 CB :: 38.172 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 :: 7.497 HA :: 4.067 HB2 :: 2.916 HB3 :: 2.602 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 :: 117.997 Ave N Shift Values>> N :: 120.52(4.2) 1.M102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 K 0.27 R 0.13 M 0.09 C Shift Assignments>> C :: 179.168 CA :: 56.498 CB :: 30.169 CG :: 29.686 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 :: 8.516 HA :: 4.201 HB2 :: 2.000 HB3 :: 2.000 HG2 :: 2.593 HG3 :: 2.645 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 :: 118.392 Ave N Shift Values>> N :: 120.09(3.57) 1.R103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 R 0.39 G 0.13 K 0.01 C Shift Assignments>> C :: 177.302 CA :: 58.675 CB :: 30.797 CG :: 27.270 CD :: 43.932 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 :: 7.619 HA :: 4.058 HB2 :: 1.887 HB3 :: 1.842 HG2 :: 1.677 HG3 :: 1.665 HD2 :: 3.161 HD3 :: 3.161 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 :: 119.138 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.S104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.467 CA :: 59.400 CB :: 64.177 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.057 HA :: 4.357 HB2 :: 4.086 HB3 :: 3.962 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 :: 112.411 Ave N Shift Values>> N :: 116.28(3.52) 1.L105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.47 C 0.28 R 0.16 G 0.06 C Shift Assignments>> C :: 177.327 CA :: 55.868 CB :: 43.290 CG :: 27.468 CD1 :: 25.768 CD2 :: 25.274 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 :: 7.600 HA :: 4.396 HB2 :: 1.719 HB3 :: 1.690 HG :: 1.569 HD11 :: 0.759 HD12 :: 0.759 HD13 :: 0.759 HD21 :: 0.812 HD22 :: 0.812 HD23 :: 0.812 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 124.136 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>> K 0.48 C 0.36 R 0.13 C Shift Assignments>> C :: 176.491 CA :: 55.748 CB :: 33.394 CG :: 25.126 CD :: 29.136 CE :: 42.206 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 :: 9.760 HA :: 4.319 HB2 :: 1.897 HB3 :: 1.339 HG2 :: 0.843 HG3 :: 0.553 HD2 :: 1.271 HD3 :: 1.368 HE2 :: 2.795 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 :: 124.858 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.87 A 0.08 V 0.02 C Shift Assignments>> C :: 172.170 CA :: 57.341 CB :: 30.977 CG1 :: 23.634 CG2 :: 18.167 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 :: 6.771 HA :: 4.538 HB :: 2.151 HG11 :: 0.991 HG12 :: 0.991 HG13 :: 0.991 HG21 :: 0.779 HG22 :: 0.779 HG23 :: 0.779 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 :: 112.327 Ave N Shift Values>> N :: 121.14(4.54) 1.P108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.67 C 0.32 C Shift Assignments>> C :: 175.462 CA :: 62.458 CB :: 31.569 CG :: 27.842 CD :: 50.568 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 :: 4.380 HB2 :: 1.928 HB3 :: 2.206 HG2 :: 1.988 HG3 :: 1.793 HD2 :: 3.759 HD3 :: 3.564 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.A109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.68 L 0.21 C 0.09 C Shift Assignments>> C :: 176.357 CA :: 51.081 CB :: 21.991 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.935 HA :: 5.051 HB1 :: 0.998 HB2 :: 0.998 HB3 :: 0.998 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.724 Ave N Shift Values>> N :: 123.23(3.54) 1.T110 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 :: 176.381 CA :: 62.758 CB :: 70.203 CG2 :: 21.784 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 :: 8.450 HA :: 4.394 HB :: 3.766 HG21 :: 0.564 HG22 :: 0.564 HG23 :: 0.564 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 :: 123.162 Ave N Shift Values>> N :: 115.42(4.75) 1.V111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.51 C 0.48 C Shift Assignments>> C :: 173.969 CA :: 60.335 CB :: 32.783 CG1 :: 21.584 CG2 :: 20.120 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 :: 8.489 HA :: 4.736 HB :: 1.695 HG11 :: 0.595 HG12 :: 0.595 HG13 :: 0.595 HG21 :: 0.255 HG22 :: 0.255 HG23 :: 0.255 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 :: 128.645 Ave N Shift Values>> N :: 121.14(4.54) 1.S112 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 178.476 CA :: 54.416 CB :: 64.820 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.587 HA :: 4.893 HB2 :: 3.724 HB3 :: 2.921(S) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 119.576 Ave N Shift Values>> N :: 116.28(3.52) 1.V113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 V 0.45 HN Overlap>> 1.L11 1.L11 C Shift Assignments>> C :: 178.476 CA :: 59.630 CB :: 32.960 CG1 :: 21.857 CG2 :: 19.898 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 :: 8.594 HA :: 4.560 HB :: 2.084 HG11 :: 0.301 HG12 :: 0.301 HG13 :: 0.301 HG21 :: 0.256 HG22 :: 0.256 HG23 :: 0.256 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 :: 119.312 Ave N Shift Values>> N :: 121.14(4.54) 1.S114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 178.446 CA :: 61.709 CB :: 63.899 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.413 HA :: 4.008 HB2 :: 3.944 HB3 :: 4.008 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 :: 112.822 Ave N Shift Values>> N :: 116.28(3.52) 1.S115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.537 CA :: 56.256 CB :: 64.394 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.344 HA :: 4.949 HB2 :: 4.113 HB3 :: 3.807 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 :: 114.440 Ave N Shift Values>> N :: 116.28(3.52) 1.P116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.85 C 0.14 C Shift Assignments>> C :: 179.261 CA :: 65.493 CB :: 31.979 CG :: 27.893 CD :: 51.063 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 :: 4.176 HB2 :: 2.372 HB3 :: 1.945 HG2 :: 2.130 HG3 :: 1.990 HD2 :: 3.852 HD3 :: 3.829 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.D117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.23 Y 0.22 D 0.17 L 0.12 C 0.11 N 0.06 I 0.03 K 0.01 C Shift Assignments>> C :: 177.873 CA :: 56.418 CB :: 39.960 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 :: 8.231 HA :: 4.364 HB2 :: 2.474 HB3 :: 2.570 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 :: 116.337 Ave N Shift Values>> N :: 120.65(3.86) 1.A118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.66 M 0.3 C 0.01 C Shift Assignments>> C :: 178.297 CA :: 53.688 CB :: 18.285 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.796 HA :: 4.208 HB1 :: 1.380 HB2 :: 1.380 HB3 :: 1.380 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.830 Ave N Shift Values>> N :: 123.23(3.54) 1.V119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.91 C 0.08 C Shift Assignments>> C :: 177.067 CA :: 66.729 CB :: 31.309 CG1 :: 22.924 CG2 :: 21.237 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 :: 7.477 HA :: 3.227 HB :: 2.183 HG11 :: 0.663 HG12 :: 0.663 HG13 :: 0.663 HG21 :: 0.647 HG22 :: 0.647 HG23 :: 0.647 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 :: 121.085 Ave N Shift Values>> N :: 121.14(4.54) 1.T120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.96 C 0.03 C Shift Assignments>> C :: 177.448 CA :: 65.622 CB :: 68.453 CG2 :: 21.888 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 :: 7.416 HA :: 3.762 HB :: 4.052 HG21 :: 1.105 HG22 :: 1.105 HG23 :: 1.105 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 :: 113.202 Ave N Shift Values>> N :: 115.42(4.75) 1.A121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.5 A 0.45 I 0.02 C 0.01 C Shift Assignments>> C :: 178.521 CA :: 54.519 CB :: 17.807 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.431 HA :: 3.651 HB1 :: 1.206 HB2 :: 1.206 HB3 :: 1.206 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.010 Ave N Shift Values>> N :: 123.23(3.54) 1.Y122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.59 C 0.15 Y 0.12 F 0.12 C Shift Assignments>> C :: 176.720 CA :: 62.695 CB :: 39.129 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 :: 8.825 HA :: 4.539 HB2 :: 2.925 HB3 :: 2.936 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 :: 119.034 Ave N Shift Values>> N :: 120.52(4.2) 1.N123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.22 E 0.21 N 0.16 Y 0.13 F 0.09 M 0.08 D 0.02 I 0.02 K 0.02 C Shift Assignments>> C :: 179.034 CA :: 55.385 CB :: 37.019 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 :: 8.361 HA :: 4.267 HB2 :: 2.648 HB3 :: 2.725 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 :: 116.038 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.G124 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 :: 176.263 CA :: 46.687 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.706 HA2 :: 3.697 HA3 :: 3.617 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.067 Ave N Shift Values>> N :: 109.67(3.87) 1.Y125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.23 Y 0.23 E 0.17 F 0.16 I 0.1 M 0.03 N 0.02 D 0.01 K 0.01 C Shift Assignments>> C :: 178.721 CA :: 57.770 CB :: 37.456 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 :: 7.777 HA :: 4.599 HB2 :: 3.063 HB3 :: 2.654 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 :: 121.693 Ave N Shift Values>> N :: 120.52(4.2) 1.L126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.6 C 0.33 G 0.02 R 0.02 HN Overlap>> 1.T6 1.T6 C Shift Assignments>> C :: 178.644 CA :: 57.112 CB :: 42.633 CG :: 26.116 CD1 :: 24.898 CD2 :: 23.471 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 :: 7.958 HA :: 3.777 HB2 :: 1.444 HB3 :: 1.473 HG :: 1.352 HD11 :: 0.709 HD12 :: 0.709 HD13 :: 0.709 HD21 :: 0.604 HD22 :: 0.604 HD23 :: 0.604 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 :: 118.763 Ave N Shift Values>> N :: 121.86(3.9) 1.T127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.91 C 0.08 C Shift Assignments>> C :: 174.908 CA :: 62.219 CB :: 69.785 CG2 :: 21.619 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 :: 7.466 HA :: 4.245 HB :: 4.279 HG21 :: 1.132 HG22 :: 1.132 HG23 :: 1.132 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 :: 108.259 Ave N Shift Values>> N :: 115.42(4.75) 1.S128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.N72 1.N72 C Shift Assignments>> C :: 173.791 CA :: 58.840 CB :: 64.170 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.735 HA :: 4.430 HB2 :: 3.874 HB3 :: 3.874 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 :: 117.667 Ave N Shift Values>> N :: 116.28(3.52) 1.S129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.I38 1.I38 C Shift Assignments>> C :: 178.852 CA :: 60.554 CB :: 64.473 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.076 HA :: 4.180 HB2 :: 3.765 HB3 :: 3.765 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 :: 123.181 Ave N Shift Values>> N :: 116.28(3.52) ########################################################################### Overall Results: #Consistent: 122 #Clerical: 0 #Suspicious: 7 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 127 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 2 Shift Relative Order (SRO) Results: #Consistent: 129 #Suspicious: 0 C Shift Results: #Consistent: 520 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 H Shift Results: #Consistent: 815 #Duplicate: 0 #Unknown: 0 #Suspicious: 14 #Anomalous: 0 N Shift Results: #Consistent: 121 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.V7 CG2 = 15.892(S), Expected = 21.26, Std = 1.5600, ChiSquare = 5.7951e-04 1.V7 HB = 0.891(S), Expected = 1.98, Std = 0.3200, ChiSquare = 6.6620e-04 1.V7 HG21 = -1.016(S), Expected = 0.80, Std = 0.2800, ChiSquare = 8.8312e-11 1.V7 HG22 = -1.016(S), Expected = 0.80, Std = 0.2800, ChiSquare = 8.8312e-11 1.V7 HG23 = -1.016(S), Expected = 0.80, Std = 0.2800, ChiSquare = 8.8312e-11 1.E13 HB3 = 1.135(S), Expected = 1.99, Std = 0.2300, ChiSquare = 2.0129e-04 1.P26 HA = 5.756(S), Expected = 4.40, Std = 0.3300, ChiSquare = 3.9722e-05 1.I47 HG21 = -0.435(S), Expected = 0.77, Std = 0.2700, ChiSquare = 8.0834e-06 1.I47 HG22 = -0.435(S), Expected = 0.77, Std = 0.2700, ChiSquare = 8.0834e-06 1.I47 HG23 = -0.435(S), Expected = 0.77, Std = 0.2700, ChiSquare = 8.0834e-06 1.V67 HB = 0.663(S), Expected = 1.98, Std = 0.3200, ChiSquare = 3.8613e-05 1.E96 HA = 2.891(S), Expected = 4.25, Std = 0.4100, ChiSquare = 9.1763e-04 1.E96 HB3 = 0.668(S), Expected = 1.99, Std = 0.2300, ChiSquare = 9.0398e-09 1.E96 HG3 = 1.387(S), Expected = 2.25, Std = 0.2200, ChiSquare = 8.7552e-05 1.S112 HB3 = 2.921(S), Expected = 3.85, Std = 0.2700, ChiSquare = 5.8012e-04