Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> R 0.34 L 0.27 G 0.14 C 0.09 D 0.04 F 0.03 K 0.02 Y 0.02 C Shift Assignments>> CA :: 43.689 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> HA2 :: 3.815 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) 1.S2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G4 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S5 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S6 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.78 L 0.08 C 0.07 R 0.03 C Shift Assignments>> C :: 174.664 CA :: 45.378 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> HA2 :: 3.971 HA3 :: 3.971 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) 1.G8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.76 L 0.09 C 0.08 R 0.04 C Shift Assignments>> C :: 173.412 CA :: 45.254 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.270 HA2 :: 3.977 HA3 :: 3.977 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.621 Ave N Shift Values>> N :: 109.91(4.29) 1.C9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.15 C 0.15 Q 0.13 R 0.13 E 0.13 I 0.12 H 0.11 L 0.03 C Shift Assignments>> C :: 174.560 CA :: 58.725 CB :: 28.496 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.251 HA :: 4.675 HB2 :: 2.750 HB3 :: 2.976 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 120.217 Ave N Shift Values>> N :: 119.95(4.79) 1.Q10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 Q 0.29 K 0.26 R 0.06 E 0.04 C Shift Assignments>> C :: 173.509 CA :: 52.996 CB :: 29.742 CG :: 33.148 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.934 HA :: 4.934 HB2 :: 1.853 HB3 :: 1.951 HG2 :: 2.237 HG3 :: 2.237 HE21 :: 7.496 HE22 :: 6.747 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 125.611 NE2 :: 111.868 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.P11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.84 C 0.15 C Shift Assignments>> C :: 176.828 CA :: 65.103 CB :: 31.787 CG :: 27.972 CD :: 50.778 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.182 HB2 :: 1.991 HB3 :: 2.482 HG2 :: 2.160 HG3 :: 2.118 HD2 :: 3.746 HD3 :: 3.863 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.S12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.225 CA :: 59.982 CB :: 62.607 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.995 HA :: 4.193 HB2 :: 3.982 HB3 :: 3.872 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 108.592 Ave N Shift Values>> N :: 116.3(3.95) 1.R13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.44 C 0.33 K 0.16 G 0.04 C Shift Assignments>> C :: 175.970 CA :: 55.497 CB :: 30.476 CG :: 27.537 CD :: 43.029 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.947 HA :: 4.300 HB2 :: 1.613 HB3 :: 1.920 HG2 :: 1.520 HG3 :: 1.636 HD2 :: 3.097 HD3 :: 3.097 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 120.094 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.V14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.69 C 0.3 C Shift Assignments>> C :: 175.058 CA :: 62.879 CB :: 31.236 CG1 :: 22.926 CG2 :: 23.274 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.430 HA :: 3.935 HB :: 1.958 HG11 :: 0.609 HG12 :: 0.609 HG13 :: 0.609 HG21 :: 0.267 HG22 :: 0.267 HG23 :: 0.267 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 122.342 Ave N Shift Values>> N :: 121.02(4.96) 1.Q15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.64 Q 0.22 E 0.09 K 0.02 C Shift Assignments>> C :: 174.124 CA :: 54.239 CB :: 32.619 CG :: 33.707 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.126 HA :: 4.794 HB2 :: 1.831 HB3 :: 2.062 HG2 :: 2.217 HG3 :: 2.285 HE21 :: 7.427 HE22 :: 6.552 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 124.581 NE2 :: 111.017 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.A16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.42 C 0.26 A 0.16 K 0.06 P 0.05 R 0.01 C Shift Assignments>> C :: 175.235 CA :: 50.356 CB :: 23.416 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.658 HA :: 5.555 HB1 :: 1.066 HB2 :: 1.066 HB3 :: 1.066 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 126.980 Ave N Shift Values>> N :: 123.23(3.7) 1.Q17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 Q 0.24 K 0.1 E 0.05 R 0.01 C Shift Assignments>> C :: 174.246 CA :: 55.050 CB :: 31.828 CG :: 32.614 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.611 HA :: 4.613 HB2 :: 1.956 HB3 :: 2.201 HG2 :: 2.236 HG3 :: 2.293 HE21 :: 7.406 HE22 :: 6.745 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 116.661 NE2 :: 111.827 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.G18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.77 L 0.09 C 0.07 R 0.03 C Shift Assignments>> C :: 174.132 CA :: 45.296 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.484 HA2 :: 4.103 HA3 :: 4.905 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.616 Ave N Shift Values>> N :: 109.91(4.29) 1.P19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.88 C 0.1 C Shift Assignments>> C :: 179.347 CA :: 65.549 CB :: 31.446 CG :: 27.574 CD :: 50.034 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.376 HB2 :: 2.332 HB3 :: 2.451 HG2 :: 2.102 HG3 :: 2.463 HD2 :: 3.613 HD3 :: 3.827 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.G20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 C 0.1 L 0.06 R 0.01 C Shift Assignments>> C :: 172.687 CA :: 46.020 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.258 HA2 :: 3.320 HA3 :: 4.308 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 103.620 Ave N Shift Values>> N :: 109.91(4.29) 1.L21 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> A 0.58 C 0.3 L 0.11 C Shift Assignments>> C :: 175.556 CA :: 53.914 CB :: 40.000 CG :: 25.994 CD1 :: 24.136 CD2 :: 19.991 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.471 HA :: 4.195 HB2 :: 1.032 HB3 :: 1.307 HG :: 0.494 HD11 :: -0.405(S) HD12 :: -0.405(S) HD13 :: -0.405(S) HD21 :: -0.788(S) HD22 :: -0.788(S) HD23 :: -0.788(S) Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 116.020 Ave N Shift Values>> N :: 121.98(4.07) 1.K22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 K 0.38 R 0.16 G 0.01 C Shift Assignments>> C :: 175.209 CA :: 57.263 CB :: 35.114 CG :: 24.698 CD :: 28.893 CE :: 42.194 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.838 HA :: 4.571 HB2 :: 1.964 HB3 :: 1.894 HG2 :: 1.367 HG3 :: 1.465 HD2 :: 1.715 HD3 :: 1.715 HE2 :: 3.000 HE3 :: 3.000 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 120.039 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.E23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 E 0.36 Q 0.06 K 0.01 I 0.01 C Shift Assignments>> C :: 172.552 CA :: 56.297 CB :: 32.306 CG :: 35.780 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.993 HA :: 4.296 HB2 :: 1.944 HB3 :: 1.854 HG2 :: 1.956 HG3 :: 1.956 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 117.180 Ave N Shift Values>> N :: 120.68(3.68) 1.A24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.36 C 0.23 P 0.23 K 0.08 A 0.03 R 0.02 C Shift Assignments>> C :: 174.763 CA :: 50.519 CB :: 24.197 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.809 HA :: 4.416 HB1 :: 1.048 HB2 :: 1.048 HB3 :: 1.048 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.660 Ave N Shift Values>> N :: 123.23(3.7) 1.F25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.55 C 0.34 G 0.1 C Shift Assignments>> C :: 176.018 CA :: 55.899 CB :: 43.108 CD1 :: 132.392 CD2 :: 132.392 CE1 :: 131.071 CE2 :: 131.071 CZ :: 129.701 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.043 HA :: 5.703 HB2 :: 3.109 HB3 :: 2.328 HD1 :: 7.087 HD2 :: 7.087 HE1 :: 7.199 HE2 :: 7.199 HZ :: 7.174 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 115.728 Ave N Shift Values>> N :: 120.69(4.18) 1.T26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.76 C 0.22 C Shift Assignments>> C :: 175.037 CA :: 61.497 CB :: 68.865 CG2 :: 23.498 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.120 HA :: 3.543 HB :: 3.915 HG21 :: 0.662 HG22 :: 0.662 HG23 :: 0.662 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 112.572 Ave N Shift Values>> N :: 115.7(5.05) 1.N27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.27 N 0.18 Y 0.17 E 0.14 F 0.1 D 0.05 I 0.02 L 0.01 K 0.01 C Shift Assignments>> C :: 172.731 CA :: 55.412 CB :: 37.572 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.502 HA :: 3.864 HB2 :: 2.981 HB3 :: 2.925 HD21 :: 7.423 HD22 :: 7.060 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 110.875 ND2 :: 113.895 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.K28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 K 0.42 R 0.05 A 0.05 G 0.02 C Shift Assignments>> C :: 171.608 CA :: 52.859 CB :: 34.387 CG :: 23.434 CD :: 29.032 CE :: 41.990 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.348 HA :: 4.724 HB2 :: 1.478 HB3 :: 1.671 HG2 :: 1.254 HG3 :: 1.301 HD2 :: 1.544 HD3 :: 1.470 HE2 :: 2.823 HE3 :: 2.823 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 118.224 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.P29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.78 C 0.21 C Shift Assignments>> C :: 175.936 CA :: 62.776 CB :: 31.429 CG :: 27.763 CD :: 49.968 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 3.980 HB2 :: 1.909 HB3 :: 1.603 HG2 :: 1.786 HG3 :: 2.033 HD2 :: 3.489 HD3 :: 3.631 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.N30 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Suspicious PRTL>> D 0.33 N 0.29 C 0.12 L 0.1 F 0.05 Y 0.04 K 0.03 C Shift Assignments>> C :: 174.564 CA :: 52.412 CB :: 40.428 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 7.964 HA :: 5.203 HB2 :: 1.680(S) HB3 :: 1.899 HD21 :: 6.810 HD22 :: 7.690 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 124.312 ND2 :: 122.788(S) Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.V31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 V 0.41 I 0.01 C Shift Assignments>> C :: 176.023 CA :: 60.751 CB :: 34.942 CG1 :: 21.171 CG2 :: 18.872 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.949 HA :: 5.309 HB :: 2.314 HG11 :: 0.842 HG12 :: 0.842 HG13 :: 0.842 HG21 :: 0.917 HG22 :: 0.917 HG23 :: 0.917 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 117.123 Ave N Shift Values>> N :: 121.02(4.96) 1.F32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.57 C 0.41 C Shift Assignments>> C :: 172.481 CA :: 57.414 CB :: 39.676 CD1 :: 132.094 CD2 :: 132.094 CE1 :: 130.454 CE2 :: 130.454 CZ :: 128.583 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.281 HA :: 5.087 HB2 :: 2.731 HB3 :: 3.002 HD1 :: 6.636 HD2 :: 6.636 HE1 :: 6.837 HE2 :: 6.837 HZ :: 6.684 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 114.135 Ave N Shift Values>> N :: 120.69(4.18) 1.T33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.82 C 0.17 C Shift Assignments>> C :: 173.698 CA :: 61.021 CB :: 72.149 CG2 :: 21.701 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 9.143 HA :: 5.257 HB :: 4.051 HG21 :: 1.188 HG22 :: 1.188 HG23 :: 1.188 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 114.336 Ave N Shift Values>> N :: 115.7(5.05) 1.V34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.6 C 0.39 C Shift Assignments>> C :: 174.629 CA :: 61.100 CB :: 34.125 CG1 :: 22.524 CG2 :: 21.570 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 9.027 HA :: 4.821 HB :: 1.904 HG11 :: 0.759 HG12 :: 0.759 HG13 :: 0.759 HG21 :: 1.017 HG22 :: 1.017 HG23 :: 1.017 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 123.775 Ave N Shift Values>> N :: 121.02(4.96) 1.V35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.73 C 0.26 C Shift Assignments>> C :: 175.514 CA :: 62.289 CB :: 33.748 CG1 :: 21.504 CG2 :: 21.126 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 9.347 HA :: 4.457 HB :: 2.074 HG11 :: 1.079 HG12 :: 1.079 HG13 :: 1.079 HG21 :: 0.940 HG22 :: 0.940 HG23 :: 0.940 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 128.256 Ave N Shift Values>> N :: 121.02(4.96) 1.T36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.87 C 0.11 HN Overlap>> 1.G85 1.G85 C Shift Assignments>> C :: 174.782 CA :: 60.822 CB :: 68.635 CG2 :: 21.903 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.519 HA :: 4.096 HB :: 4.179 HG21 :: 0.796 HG22 :: 0.796 HG23 :: 0.796 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 115.093 Ave N Shift Values>> N :: 115.7(5.05) 1.R37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.41 C 0.36 K 0.14 G 0.07 C Shift Assignments>> C :: 176.713 CA :: 58.038 CB :: 30.559 CG :: 28.238 CD :: 43.392 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.314 HA :: 4.120 HB2 :: 1.773 HB3 :: 1.828 HG2 :: 1.665 HG3 :: 1.771 HD2 :: 3.149 HD3 :: 3.317 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 122.948 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.G38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.79 C 0.08 L 0.08 R 0.02 C Shift Assignments>> C :: 174.354 CA :: 45.510 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> HA2 :: 3.853 HA3 :: 4.070 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) 1.A39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.78 L 0.12 C 0.08 C Shift Assignments>> C :: 176.797 CA :: 51.991 CB :: 21.148 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.926 HA :: 4.368 HB1 :: 1.018 HB2 :: 1.018 HB3 :: 1.018 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.579 Ave N Shift Values>> N :: 123.23(3.7) 1.G40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.51 L 0.19 R 0.14 C 0.1 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> C :: 174.782 CA :: 44.615 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.290 HA2 :: 3.759 HA3 :: 4.296 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.262 Ave N Shift Values>> N :: 109.91(4.29) 1.I41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.69 C 0.3 C Shift Assignments>> C :: 175.026 CA :: 61.241 CB :: 38.558 CG1 :: 27.197 CG2 :: 17.210 CD1 :: 12.601 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.505 HA :: 4.212 HB :: 1.760 HG12 :: 1.143 HG13 :: 1.433 HG21 :: 0.775 HG22 :: 0.775 HG23 :: 0.775 HD11 :: 0.792 HD12 :: 0.792 HD13 :: 0.792 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 122.717 Ave N Shift Values>> N :: 121.6(4.72) 1.G42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.47 L 0.2 R 0.16 C 0.1 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> C :: 171.316 CA :: 44.524 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.646 HA2 :: 3.001 HA3 :: 3.753 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 112.635 Ave N Shift Values>> N :: 109.91(4.29) 1.G43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.43 L 0.21 R 0.18 C 0.1 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> C :: 173.893 CA :: 44.440 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.942 HA2 :: 3.403 HA3 :: 4.108 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 105.255 Ave N Shift Values>> N :: 109.91(4.29) 1.L44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.35 C 0.25 R 0.2 G 0.16 C Shift Assignments>> C :: 176.000 CA :: 54.476 CB :: 43.781 CG :: 27.631 CD1 :: 24.763 CD2 :: 26.819 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.835 HA :: 5.218 HB2 :: 1.495 HB3 :: 1.920 HG :: 1.530 HD11 :: 0.987 HD12 :: 0.987 HD13 :: 0.987 HD21 :: 0.886 HD22 :: 0.886 HD23 :: 0.886 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 129.357 Ave N Shift Values>> N :: 121.98(4.07) 1.G45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.5 L 0.19 R 0.14 C 0.1 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> C :: 171.909 CA :: 44.596 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.232 HA2 :: 3.283 HA3 :: 4.516 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 117.439 Ave N Shift Values>> N :: 109.91(4.29) 1.I46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.62 C 0.36 C Shift Assignments>> C :: 175.440 CA :: 60.306 CB :: 41.399 CG1 :: 28.079 CG2 :: 17.045 CD1 :: 14.420 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.173 HA :: 5.202 HB :: 1.597 HG12 :: 1.058 HG13 :: 1.577 HG21 :: 0.705 HG22 :: 0.705 HG23 :: 0.705 HD11 :: 0.824 HD12 :: 0.824 HD13 :: 0.824 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 124.065 Ave N Shift Values>> N :: 121.6(4.72) 1.T47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.62 C 0.37 C Shift Assignments>> C :: 172.654 CA :: 59.620 CB :: 72.197 CG2 :: 22.410 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.822 HA :: 4.594 HB :: 4.199 HG21 :: 1.103 HG22 :: 1.103 HG23 :: 1.103 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 117.830 Ave N Shift Values>> N :: 115.7(5.05) 1.V48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.62 C 0.37 HN Overlap>> 1.C58 1.S54 1.C58 1.S54 C Shift Assignments>> C :: 176.215 CA :: 61.363 CB :: 34.311 CG1 :: 21.628 CG2 :: 20.147 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.679 HA :: 4.998 HB :: 1.682 HG11 :: 0.622 HG12 :: 0.622 HG13 :: 0.622 HG21 :: 0.375 HG22 :: 0.375 HG23 :: 0.375 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 121.901 Ave N Shift Values>> N :: 121.02(4.96) 1.E49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.72 E 0.24 Q 0.02 C Shift Assignments>> C :: 175.089 CA :: 54.250 CB :: 32.905 CG :: 36.105 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 9.412 HA :: 4.998 HB2 :: 1.893 HB3 :: 2.071 HG2 :: 2.139 HG3 :: 2.139 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 129.773 Ave N Shift Values>> N :: 120.68(3.68) 1.G50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.08 L 0.07 R 0.01 C Shift Assignments>> C :: 171.902 CA :: 45.672 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.419 HA2 :: 3.561 HA3 :: 3.639 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.028 Ave N Shift Values>> N :: 109.91(4.29) 1.P51 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> P 0.86 C 0.13 C Shift Assignments>> C :: 175.820 CA :: 64.022 CB :: 31.798 CG :: 26.511 CD :: 49.616 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.344 HB2 :: 1.975 HB3 :: 2.166 HG2 :: 1.767 HG3 :: 1.503 HD2 :: 2.843 HD3 :: 1.745(S) Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) SRO Rule Breaks>> (HD3 > HG2 : 0.9928) 1.S52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.74 T 0.25 C Shift Assignments>> C :: 172.323 CA :: 57.601 CB :: 66.709 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.406 HA :: 4.719 HB2 :: 4.099 HB3 :: 3.952 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 110.735 Ave N Shift Values>> N :: 116.3(3.95) 1.E53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 E 0.37 K 0.13 Q 0.06 I 0.04 C Shift Assignments>> C :: 175.327 CA :: 55.551 CB :: 29.245 CG :: 36.229 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.962 HA :: 4.646 HB2 :: 2.108 HB3 :: 2.030 HG2 :: 2.244 HG3 :: 2.334 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 122.124 Ave N Shift Values>> N :: 120.68(3.68) 1.S54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 T 0.01 HN Overlap>> 1.V48 1.V48 C Shift Assignments>> C :: 174.797 CA :: 60.349 CB :: 64.587 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.617 HA :: 4.802 HB2 :: 3.365 HB3 :: 3.453 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 121.942 Ave N Shift Values>> N :: 116.3(3.95) 1.K55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.41 C 0.37 R 0.18 G 0.01 HN Overlap>> 1.V102 1.V102 C Shift Assignments>> C :: 176.341 CA :: 55.765 CB :: 33.791 CG :: 24.982 CD :: 29.056 CE :: 42.194 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.141 HA :: 4.595 HB2 :: 1.927 HB3 :: 1.927 HG2 :: 1.585 HG3 :: 1.531 HD2 :: 1.787 HD3 :: 1.787 HE2 :: 3.025 HE3 :: 3.025 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 124.881 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.I56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.61 C 0.38 C Shift Assignments>> C :: 174.875 CA :: 60.467 CB :: 41.302 CG1 :: 28.093 CG2 :: 16.943 CD1 :: 15.208 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.799 HA :: 4.944 HB :: 1.649 HG12 :: 1.480 HG13 :: 0.818 HG21 :: 0.774 HG22 :: 0.774 HG23 :: 0.774 HD11 :: 0.856 HD12 :: 0.856 HD13 :: 0.856 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 126.405 Ave N Shift Values>> N :: 121.6(4.72) 1.N57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.28 L 0.24 C 0.11 K 0.09 R 0.08 N 0.08 F 0.03 Y 0.02 G 0.01 C Shift Assignments>> C :: 173.646 CA :: 52.420 CB :: 42.194 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.919 HA :: 5.048 HB2 :: 2.596 HB3 :: 2.556 HD21 :: 8.007 HD22 :: 6.687 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 124.818 ND2 :: 113.972 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.C58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.16 Q 0.16 K 0.16 H 0.15 C 0.14 R 0.12 I 0.05 L 0.01 V 0.01 HN Overlap>> 1.V48 1.V48 C Shift Assignments>> C :: 172.766 CA :: 57.661 CB :: 29.214 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.772 HA :: 4.912 HB2 :: 2.671 HB3 :: 2.566 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 121.951 Ave N Shift Values>> N :: 119.95(4.79) 1.R59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 R 0.34 K 0.15 G 0.09 C Shift Assignments>> C :: 174.072 CA :: 54.634 CB :: 32.999 CG :: 27.017 CD :: 43.339 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.827 HA :: 4.577 HB2 :: 1.757 HB3 :: 1.628 HG2 :: 1.341 HG3 :: 1.506 HD2 :: 3.134 HD3 :: 3.134 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 126.939 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.D60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.28 L 0.19 K 0.12 C 0.1 N 0.1 F 0.07 Y 0.06 R 0.03 C Shift Assignments>> C :: 176.928 CA :: 54.017 CB :: 41.217 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.776 HA :: 4.797 HB2 :: 2.819 HB3 :: 2.623 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 125.729 Ave N Shift Values>> N :: 120.73(4.2) 1.N61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.34 C 0.18 D 0.17 Y 0.12 F 0.09 L 0.04 E 0.02 I 0.01 C Shift Assignments>> C :: 175.990 CA :: 54.155 CB :: 38.695 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.792 HA :: 4.697 HB2 :: 2.965 HB3 :: 2.720 HD21 :: 7.394 HD22 :: 7.327 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 124.928 ND2 :: 114.411 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.K62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 R 0.32 K 0.21 L 0.05 G 0.01 C Shift Assignments>> C :: 175.257 CA :: 57.972 CB :: 28.787 CG :: 24.825 CD :: 28.657 CE :: 42.187 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 9.364 HA :: 3.984 HB2 :: 1.965 HB3 :: 2.110 HG2 :: 1.247 HG3 :: 1.324 HD2 :: 1.583 HD3 :: 1.651 HE2 :: 2.952 HE3 :: 2.952 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 115.152 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.D63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.34 N 0.21 L 0.15 C 0.11 K 0.06 F 0.05 Y 0.04 R 0.01 C Shift Assignments>> C :: 177.758 CA :: 52.430 CB :: 41.011 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 7.878 HA :: 4.713 HB2 :: 2.400 HB3 :: 3.010 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 117.682 Ave N Shift Values>> N :: 120.73(4.2) 1.G64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.08 L 0.07 R 0.02 C Shift Assignments>> C :: 172.760 CA :: 45.604 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.802 HA2 :: 3.597 HA3 :: 4.245 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.233 Ave N Shift Values>> N :: 109.91(4.29) 1.S65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.92 S 0.07 C Shift Assignments>> C :: 172.547 CA :: 57.155 CB :: 68.372 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.093 HA :: 5.564 HB2 :: 3.917 HB3 :: 3.815 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 115.408 Ave N Shift Values>> N :: 116.3(3.95) 1.C66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.19 C 0.17 H 0.17 E 0.16 K 0.12 Q 0.12 V 0.02 I 0.01 C Shift Assignments>> C :: 174.007 CA :: 56.674 CB :: 31.033 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 9.278 HA :: 5.330 HB2 :: 2.714 HB3 :: 2.601 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 117.836 Ave N Shift Values>> N :: 119.95(4.79) 1.S67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.237 CA :: 58.186 CB :: 64.082 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.006 HA :: 4.820 HB2 :: 4.031 HB3 :: 3.649 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 121.934 Ave N Shift Values>> N :: 116.3(3.95) 1.A68 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> A 0.53 L 0.23 C 0.2 K 0.01 C Shift Assignments>> C :: 175.270 CA :: 50.013 CB :: 22.362 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.814 HA :: 5.012 HB1 :: 0.285(S) HB2 :: 0.285(S) HB3 :: 0.285(S) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 129.588 Ave N Shift Values>> N :: 123.23(3.7) 1.E69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.87 E 0.1 Q 0.01 C Shift Assignments>> C :: 174.621 CA :: 53.808 CB :: 33.906 CG :: 36.043 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.361 HA :: 5.293 HB2 :: 1.604 HB3 :: 1.927 HG2 :: 2.015 HG3 :: 1.899 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 117.172 Ave N Shift Values>> N :: 120.68(3.68) 1.Y70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.47 C 0.38 G 0.13 C Shift Assignments>> C :: 174.534 CA :: 55.015 CB :: 43.079 CD1 :: 132.703 CD2 :: 132.703 CE1 :: 116.066 CE2 :: 116.066 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 8.932 HA :: 5.997 HB2 :: 2.728 HB3 :: 2.569 HD1 :: 6.629 HD2 :: 6.629 HE1 :: 6.067 HE2 :: 6.067 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 117.726 Ave N Shift Values>> N :: 120.79(4.69) 1.I71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.53 C 0.43 A 0.02 C Shift Assignments>> C :: 172.505 CA :: 58.278 CB :: 40.615 CG1 :: 26.689 CG2 :: 17.647 CD1 :: 14.040 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.998 HA :: 4.477 HB :: 1.592 HG12 :: 0.504 HG13 :: 1.174 HG21 :: 0.257 HG22 :: 0.257 HG23 :: 0.257 HD11 :: 0.681 HD12 :: 0.681 HD13 :: 0.681 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 123.503 Ave N Shift Values>> N :: 121.6(4.72) 1.P72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.56 C 0.43 C Shift Assignments>> C :: 176.944 CA :: 60.961 CB :: 31.996 CG :: 26.973 CD :: 50.163 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.671 HB2 :: 1.305 HB3 :: 1.582 HG2 :: 1.378 HG3 :: 1.297 HD2 :: 3.231 HD3 :: 3.720 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.F73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.61 C 0.37 C Shift Assignments>> C :: 174.484 CA :: 58.035 CB :: 41.137 CD1 :: 131.778 CD2 :: 131.778 CE1 :: 131.917 CE2 :: 131.917 CZ :: 129.231 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 7.731 HA :: 4.769 HB2 :: 2.531 HB3 :: 3.550 HD1 :: 7.263 HD2 :: 7.263 HE1 :: 7.420 HE2 :: 7.420 HZ :: 7.151 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 115.009 Ave N Shift Values>> N :: 120.69(4.18) 1.A74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.86 C 0.07 L 0.03 G 0.02 C Shift Assignments>> C :: 174.717 CA :: 49.539 CB :: 20.904 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 6.937 HA :: 4.961 HB1 :: 1.350 HB2 :: 1.350 HB3 :: 1.350 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 119.569 Ave N Shift Values>> N :: 123.23(3.7) 1.P75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.77 C 0.22 C Shift Assignments>> C :: 174.321 CA :: 62.867 CB :: 32.776 CG :: 26.967 CD :: 50.704 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.247 HB2 :: 2.099 HB3 :: 2.099 HG2 :: 2.060 HG3 :: 2.024 HD2 :: 3.746 HD3 :: 3.832 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.G76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.39 L 0.22 R 0.19 C 0.1 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> C :: 171.393 CA :: 44.368 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.607 HA2 :: 3.783 HA3 :: 4.385 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.076 Ave N Shift Values>> N :: 109.91(4.29) 1.D77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.23 D 0.22 K 0.15 C 0.1 R 0.08 F 0.06 Y 0.05 N 0.05 C Shift Assignments>> C :: 175.253 CA :: 54.366 CB :: 41.858 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.318 HA :: 5.223 HB2 :: 2.156 HB3 :: 2.353 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 120.920 Ave N Shift Values>> N :: 120.73(4.2) 1.Y78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.58 Y 0.41 C Shift Assignments>> C :: 174.280 CA :: 55.904 CB :: 40.260 CD1 :: 134.529 CD2 :: 134.529 CE1 :: 116.245 CE2 :: 116.245 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 8.732 HA :: 5.110 HB2 :: 2.402 HB3 :: 2.751 HD1 :: 7.045 HD2 :: 7.045 HE1 :: 6.657 HE2 :: 6.657 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 123.228 Ave N Shift Values>> N :: 120.79(4.69) 1.D79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.29 G 0.2 R 0.17 C 0.12 D 0.11 K 0.02 F 0.02 Y 0.01 N 0.01 C Shift Assignments>> C :: 174.995 CA :: 53.037 CB :: 43.744 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 9.137 HA :: 5.603 HB2 :: 2.398 HB3 :: 2.139 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 119.927 Ave N Shift Values>> N :: 120.73(4.2) 1.V80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.68 C 0.31 C Shift Assignments>> C :: 175.168 CA :: 61.966 CB :: 31.916 CG1 :: 20.378 CG2 :: 19.807 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 9.553 HA :: 4.239 HB :: 1.962 HG11 :: 0.350 HG12 :: 0.350 HG13 :: 0.350 HG21 :: 0.415 HG22 :: 0.415 HG23 :: 0.415 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 124.832 Ave N Shift Values>> N :: 121.02(4.96) 1.N81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.33 N 0.26 L 0.12 C 0.11 F 0.05 Y 0.04 K 0.04 C Shift Assignments>> C :: 174.320 CA :: 52.526 CB :: 40.590 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 9.293 HA :: 5.018 HB2 :: 2.064 HB3 :: 3.243 HD21 :: 6.425 HD22 :: 6.774 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 126.989 ND2 :: 111.185 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.I82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.61 C 0.37 C Shift Assignments>> C :: 174.128 CA :: 60.486 CB :: 40.004 CG1 :: 26.929 CG2 :: 18.588 CD1 :: 15.618 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 9.859 HA :: 5.030 HB :: 1.717 HG12 :: 1.586 HG13 :: 1.586 HG21 :: 0.832 HG22 :: 0.832 HG23 :: 0.832 HD11 :: 0.459 HD12 :: 0.459 HD13 :: 0.459 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 125.331 Ave N Shift Values>> N :: 121.6(4.72) 1.T83 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> A 0.46 C 0.36 T 0.16 C Shift Assignments>> C :: 173.890 CA :: 57.601 CB :: 72.256 CG2 :: 18.834 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 9.233 HA :: 5.078 HB :: 3.315 HG21 :: 0.175(S) HG22 :: 0.175(S) HG23 :: 0.175(S) Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 115.693 Ave N Shift Values>> N :: 115.7(5.05) 1.Y84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.56 C 0.37 G 0.06 C Shift Assignments>> C :: 176.542 CA :: 57.186 CB :: 42.790 CD1 :: 131.741 CD2 :: 131.741 CE1 :: 118.465 CE2 :: 118.465 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 9.305 HA :: 5.255 HB2 :: 2.460 HB3 :: 2.667 HD1 :: 6.594 HD2 :: 6.594 HE1 :: 6.541 HE2 :: 6.541 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 122.076 Ave N Shift Values>> N :: 120.79(4.69) 1.G85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.78 C 0.15 L 0.04 HN Overlap>> 1.T36 1.T36 C Shift Assignments>> C :: 175.727 CA :: 46.772 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.590 HA2 :: 3.890 HA3 :: 3.853 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 115.107 Ave N Shift Values>> N :: 109.91(4.29) 1.G86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.48 L 0.2 R 0.15 C 0.1 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> C :: 172.520 CA :: 44.545 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.497 HA2 :: 3.354 HA3 :: 4.173 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 104.045 Ave N Shift Values>> N :: 109.91(4.29) 1.A87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.75 C 0.12 L 0.1 C Shift Assignments>> C :: 176.711 CA :: 50.038 CB :: 21.620 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.113 HA :: 4.697 HB1 :: 1.384 HB2 :: 1.384 HB3 :: 1.384 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.783 Ave N Shift Values>> N :: 123.23(3.7) 1.H88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.62 H 0.37 C Shift Assignments>> C :: 177.134 CA :: 58.934 CB :: 32.235 CD2 :: 117.263 CE1 :: 137.996 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 8.592 HA :: 4.304 HB2 :: 2.798 HB3 :: 3.077 HD2 :: 7.024 HE1 :: 7.850 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 121.237 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.I89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.7 I 0.26 V 0.02 C Shift Assignments>> C :: 173.397 CA :: 60.239 CB :: 35.500 CG1 :: 24.768 CG2 :: 17.954 CD1 :: 16.344 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.028 HA :: 4.421 HB :: 2.187 HG12 :: 1.356 HG13 :: 1.356 HG21 :: 0.872 HG22 :: 0.872 HG23 :: 0.872 HD11 :: 0.818 HD12 :: 0.818 HD13 :: 0.818 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 118.844 Ave N Shift Values>> N :: 121.6(4.72) 1.P90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.76 C 0.23 C Shift Assignments>> C :: 176.848 CA :: 65.302 CB :: 31.115 CG :: 28.526 CD :: 50.950 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.201 HB2 :: 1.938 HB3 :: 2.275 HG2 :: 1.881 HG3 :: 2.290 HD2 :: 4.117 HD3 :: 3.705 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.G91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.38 L 0.22 R 0.2 C 0.1 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> C :: 171.712 CA :: 44.339 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.158 HA2 :: 3.015 HA3 :: 3.990 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 113.826 Ave N Shift Values>> N :: 109.91(4.29) 1.S92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.97 C 0.02 C Shift Assignments>> C :: 174.668 CA :: 54.662 CB :: 62.546 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.524 HA :: 4.235 HB2 :: 3.648 HB3 :: 4.384 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 111.622 Ave N Shift Values>> N :: 116.3(3.95) 1.P93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.55 P 0.43 C Shift Assignments>> C :: 176.531 CA :: 62.193 CB :: 33.249 CG :: 24.911 CD :: 50.047 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 5.229 HB2 :: 1.438 HB3 :: 2.315 HG2 :: 1.640 HG3 :: 1.749 HD2 :: 3.158 HD3 :: 2.407 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.F94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.57 C 0.42 C Shift Assignments>> C :: 174.829 CA :: 57.209 CB :: 39.616 CD1 :: 132.518 CD2 :: 132.518 CE1 :: 130.574 CE2 :: 130.574 CZ :: 129.304 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 9.250 HA :: 4.370 HB2 :: 2.833 HB3 :: 2.833 HD1 :: 7.214 HD2 :: 7.214 HE1 :: 7.053 HE2 :: 7.053 HZ :: 7.258 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 124.890 Ave N Shift Values>> N :: 120.69(4.18) 1.R95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.31 C 0.24 L 0.22 R 0.19 C Shift Assignments>> C :: 176.130 CA :: 54.716 CB :: 28.592 CG :: 26.482 CD :: 41.796 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.759 HA :: 5.158 HB2 :: 1.811 HB3 :: 1.811 HG2 :: 1.274 HG3 :: 1.628 HD2 :: 3.054 HD3 :: 3.107 HE :: 7.745 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 127.243 NE :: 83.419 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.V96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.7 V 0.28 C Shift Assignments>> C :: 173.335 CA :: 59.184 CB :: 35.746 CG1 :: 20.477 CG2 :: 20.194 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 9.620 HA :: 4.504 HB :: 1.721 HG11 :: 0.500 HG12 :: 0.500 HG13 :: 0.500 HG21 :: 0.657 HG22 :: 0.657 HG23 :: 0.657 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 131.854 Ave N Shift Values>> N :: 121.02(4.96) 1.P97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.7 C 0.29 C Shift Assignments>> C :: 176.336 CA :: 62.061 CB :: 32.102 CG :: 27.143 CD :: 50.948 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.986 HB2 :: 1.833 HB3 :: 2.207 HG2 :: 2.094 HG3 :: 2.299 HD2 :: 3.703 HD3 :: 4.116 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.V98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 V 0.48 C Shift Assignments>> C :: 176.750 CA :: 60.509 CB :: 32.163 CG1 :: 23.251 CG2 :: 22.902 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 9.140 HA :: 4.344 HB :: 2.188 HG11 :: 0.355 HG12 :: 0.355 HG13 :: 0.355 HG21 :: 0.407 HG22 :: 0.407 HG23 :: 0.407 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 124.581 Ave N Shift Values>> N :: 121.02(4.96) 1.K99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 K 0.34 R 0.2 G 0.01 C Shift Assignments>> C :: 175.734 CA :: 54.328 CB :: 35.989 CG :: 24.845 CD :: 29.181 CE :: 42.176 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.262 HA :: 4.729 HB2 :: 1.642 HB3 :: 1.931 HG2 :: 1.327 HG3 :: 1.327 HD2 :: 1.615 HD3 :: 1.677 HE2 :: 2.901 HE3 :: 2.901 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 127.809 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.D100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.25 L 0.23 K 0.14 C 0.1 R 0.08 N 0.06 F 0.05 Y 0.04 C Shift Assignments>> C :: 176.704 CA :: 53.808 CB :: 41.878 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.584 HA :: 4.998 HB2 :: 2.399 HB3 :: 2.629 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 120.101 Ave N Shift Values>> N :: 120.73(4.2) 1.V101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.74 C 0.25 C Shift Assignments>> C :: 175.679 CA :: 62.348 CB :: 32.923 CG1 :: 21.264 CG2 :: 21.170 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.508 HA :: 4.047 HB :: 1.949 HG11 :: 0.832 HG12 :: 0.832 HG13 :: 0.832 HG21 :: 0.771 HG22 :: 0.771 HG23 :: 0.771 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 120.864 Ave N Shift Values>> N :: 121.02(4.96) 1.V102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.69 C 0.3 HN Overlap>> 1.K55 1.K55 C Shift Assignments>> C :: 175.535 CA :: 61.802 CB :: 32.950 CG1 :: 21.119 CG2 :: 21.163 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.184 HA :: 4.050 HB :: 1.945 HG11 :: 0.832 HG12 :: 0.832 HG13 :: 0.832 HG21 :: 0.772 HG22 :: 0.772 HG23 :: 0.772 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 124.929 Ave N Shift Values>> N :: 121.02(4.96) 1.D103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.33 N 0.25 L 0.12 C 0.11 F 0.05 Y 0.04 K 0.04 C Shift Assignments>> C :: 174.296 CA :: 52.551 CB :: 40.646 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.428 HA :: 4.791 HB2 :: 2.427 HB3 :: 2.670 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 126.358 Ave N Shift Values>> N :: 120.73(4.2) 1.P104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.82 C 0.17 C Shift Assignments>> C :: 176.173 CA :: 63.290 CB :: 31.901 CG :: 27.011 CD :: 50.608 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.409 HB2 :: 1.975 HB3 :: 2.185 HG2 :: 1.958 HG3 :: 1.958 HD2 :: 3.690 HD3 :: 3.790 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.S105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.97 T 0.01 C Shift Assignments>> C :: 178.748 CA :: 60.216 CB :: 64.756 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.996 HA :: 4.151 HB2 :: 3.787 HB3 :: 3.787 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 122.237 Ave N Shift Values>> N :: 116.3(3.95) ########################################################################### Overall Results: #Consistent: 100 #Clerical: 0 #Suspicious: 5 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 100 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 5 Shift Relative Order (SRO) Results: #Consistent: 104 #Suspicious: 1 C Shift Results: #Consistent: 416 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 629 #Duplicate: 0 #Unknown: 0 #Suspicious: 14 #Anomalous: 0 N Shift Results: #Consistent: 95 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 Error Summary: 1.L21 HD11 = -0.405(S), Expected = 0.77, Std = 0.2700, ChiSquare = 1.3499e-05 1.L21 HD12 = -0.405(S), Expected = 0.77, Std = 0.2700, ChiSquare = 1.3499e-05 1.L21 HD13 = -0.405(S), Expected = 0.77, Std = 0.2700, ChiSquare = 1.3499e-05 1.L21 HD21 = -0.788(S), Expected = 0.76, Std = 0.2800, ChiSquare = 3.2285e-08 1.L21 HD22 = -0.788(S), Expected = 0.76, Std = 0.2800, ChiSquare = 3.2285e-08 1.L21 HD23 = -0.788(S), Expected = 0.76, Std = 0.2800, ChiSquare = 3.2285e-08 1.N30 HB2 = 1.680(S), Expected = 2.80, Std = 0.3400, ChiSquare = 9.8731e-04 1.N30 ND2 = 122.788(S), Expected = 112.83, Std = 2.6000, ChiSquare = 1.2814e-04 1.P51 HD3 = 1.745(S), Expected = 3.63, Std = 0.4000, ChiSquare = 2.4470e-06 1.P51 SRO Rule Break>> HD3 > HG2 : 0.992802519118309 1.A68 HB1 = 0.285(S), Expected = 1.38, Std = 0.2500, ChiSquare = 1.1868e-05 1.A68 HB2 = 0.285(S), Expected = 1.38, Std = 0.2500, ChiSquare = 1.1868e-05 1.A68 HB3 = 0.285(S), Expected = 1.38, Std = 0.2500, ChiSquare = 1.1868e-05 1.T83 HG21 = 0.175(S), Expected = 1.16, Std = 0.2800, ChiSquare = 4.3505e-04 1.T83 HG22 = 0.175(S), Expected = 1.16, Std = 0.2800, ChiSquare = 4.3505e-04 1.T83 HG23 = 0.175(S), Expected = 1.16, Std = 0.2800, ChiSquare = 4.3505e-04