Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> M 0.37 C 0.26 Q 0.25 K 0.06 E 0.04 C Shift Assignments>> C :: 171.950 CA :: 55.300 CB :: 33.540 CG :: 31.280 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>> HA :: 4.210 HB2 :: 2.030 HG2 :: 2.410 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) 1.N2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.37 D 0.31 L 0.11 F 0.07 C 0.06 Y 0.05 C Shift Assignments>> C :: 175.200 CA :: 52.920 CB :: 40.000 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 :: 9.392 HA :: 5.175 HB2 :: 3.063 HD21 :: 7.725 HD22 :: 6.794 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 :: 122.966 ND2 :: 113.870 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.M3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.49 C 0.36 Q 0.1 E 0.03 HN Overlap>> 1.I133 1.I133 C Shift Assignments>> C :: 174.200 CA :: 54.550 CB :: 34.100 CG :: 32.960 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 :: 8.745 HA :: 5.565 HB2 :: 2.188 HB3 :: 1.539 HG2 :: 2.469 HG3 :: 2.237 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 :: 120.660 Ave N Shift Values>> N :: 120.09(3.57) 1.G4 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.31 R 0.31 K 0.09 D 0.08 F 0.06 Y 0.04 C 0.03 G 0.02 I 0.01 C Shift Assignments>> C :: 170.444 CA :: 42.887 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.989 HA2 :: 2.088(S) HA3 :: 4.177 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 115.792 Ave N Shift Values>> N :: 109.67(3.87) 1.L5 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> G 0.46 L 0.32 C 0.18 R 0.01 C Shift Assignments>> C :: 175.700 CA :: 53.320 CB :: 44.700 CG :: 27.880 CD1 :: 24.720 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 :: 8.917 HA :: 6.322(A) HB2 :: 1.128 HB3 :: 1.794 HG :: 0.907 HD11 :: 1.120 HD12 :: 1.120 HD13 :: 1.120 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 :: 131.175 Ave N Shift Values>> N :: 121.86(3.9) 1.F6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.24 L 0.21 F 0.14 K 0.12 Y 0.11 C 0.06 N 0.05 R 0.01 C Shift Assignments>> C :: 174.358 CA :: 55.480 CB :: 41.050 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 9.225 HA :: 5.738 HB2 :: 2.360 HB3 :: 3.250 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 125.990 Ave N Shift Values>> N :: 120.45(4.18) 1.Y7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.25 L 0.2 F 0.15 Y 0.12 K 0.09 N 0.07 C 0.07 I 0.01 C Shift Assignments>> C :: 171.690 CA :: 55.460 CB :: 40.800 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 :: 8.235 HA :: 5.929 HB2 :: 2.920 HB3 :: 2.880 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 :: 118.040 Ave N Shift Values>> N :: 120.52(4.2) 1.G8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.29 G 0.27 R 0.25 C 0.04 F 0.04 D 0.04 Y 0.02 HN Overlap>> 1.G141 1.G141 C Shift Assignments>> C :: 171.682 CA :: 44.050 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 6.996 HA2 :: 4.620 HA3 :: 3.490 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.640 Ave N Shift Values>> N :: 109.67(3.87) 1.S9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.09 K 0.09 R 0.09 W 0.08 Q 0.08 H 0.08 C 0.07 F 0.07 Y 0.07 M 0.06 L 0.05 S 0.04 D 0.02 I 0.01 C Shift Assignments>> C :: 174.560 CA :: 57.140 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.680 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 :: 118.164 Ave N Shift Values>> N :: 116.28(3.52) 1.S10 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.T11 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.C12 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.Y13 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.T14 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.E15 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.M16 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.A17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> M 0.55 A 0.38 I 0.03 C 0.02 C Shift Assignments>> C :: 177.740 CA :: 54.900 CB :: 17.790 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.055 HA :: 3.630 HB1 :: 0.920 HB2 :: 0.920 HB3 :: 0.920 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) 1.A18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.48 A 0.45 I 0.02 C 0.02 C Shift Assignments>> C :: 179.040 CA :: 54.860 CB :: 18.200 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.015 HA :: 3.713 HB1 :: 0.982 HB2 :: 0.982 HB3 :: 0.982 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.026 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 0.38 E 0.31 I 0.22 K 0.04 Q 0.01 M 0.01 C Shift Assignments>> C :: 178.487 CA :: 59.670 CB :: 29.400 CG :: 36.670 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 :: 7.545 HA :: 3.580 HB2 :: 1.945 HB3 :: 2.020 HG2 :: 2.368 HG3 :: 1.930 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 :: 116.656 Ave N Shift Values>> N :: 120.67(3.48) 1.K20 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.97 R 0.01 HN Overlap>> 1.K111 1.N166 1.K111 1.N166 C Shift Assignments>> C :: 175.330 CA :: 57.100 CB :: 33.000 CG :: 26.820 CD :: 32.800(S) CE :: 40.300 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 :: 7.780 HA :: 4.346 HB2 :: 1.740 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 :: 120.100 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> I 0.7 C 0.29 C Shift Assignments>> C :: 177.680 CA :: 65.640 CB :: 38.030 CG1 :: 31.300 CG2 :: 18.100 CD1 :: 13.940 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 :: 8.220 HA :: 3.465 HB :: 1.623 HG12 :: 1.560 HG13 :: 0.544 HG21 :: 0.860 HG22 :: 0.860 HG23 :: 0.860 HD11 :: 0.125 HD12 :: 0.125 HD13 :: 0.125 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) 1.R22 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Anomalous PRTL>> C 0.47 R 0.31 G 0.13 K 0.04 L 0.03 C Shift Assignments>> C :: 177.268 CA :: 59.760 CB :: 28.900 CG :: 26.500 CD :: 43.700 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 :: 7.920 HA :: 3.550 HB2 :: 2.130 HB3 :: 1.518 HG2 :: 1.735 HG3 :: 1.370 HD2 :: 3.084 HD3 :: 3.165 HE :: 7.140 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 :: 119.433 NE :: 112.600(A) 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.D23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.27 Y 0.24 C 0.11 L 0.11 D 0.1 I 0.05 K 0.05 N 0.02 C Shift Assignments>> C :: 178.470 CA :: 57.450 CB :: 40.370 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.046 HA :: 4.342 HB2 :: 2.793 HB3 :: 2.637 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 118.945 Ave N Shift Values>> N :: 120.65(3.86) 1.I24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.8 C 0.19 C Shift Assignments>> C :: 178.297 CA :: 64.500 CB :: 38.740 CG1 :: 29.500 CG2 :: 18.300 CD1 :: 14.850 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.160 HA :: 3.734 HB :: 1.945 HG12 :: 1.780 HG13 :: 1.082 HG21 :: 0.855 HG22 :: 0.855 HG23 :: 0.855 HD11 :: 0.795 HD12 :: 0.795 HD13 :: 0.795 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 121.200 Ave N Shift Values>> N :: 121.46(4.28) 1.I25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.9 C 0.09 C Shift Assignments>> C :: 176.825 CA :: 65.890 CB :: 37.750 CG1 :: 29.200 CG2 :: 17.800 CD1 :: 13.240 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 :: 8.480 HA :: 3.643 HB :: 1.723 HG12 :: 1.895 HG13 :: 0.870 HG21 :: 0.914 HG22 :: 0.914 HG23 :: 0.914 HD11 :: 0.660 HD12 :: 0.660 HD13 :: 0.660 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 121.166 Ave N Shift Values>> N :: 121.46(4.28) 1.G26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.45 L 0.25 R 0.15 C 0.04 F 0.03 D 0.02 Y 0.01 C Shift Assignments>> C :: 173.800 CA :: 44.400 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.945 HA2 :: 4.436 HA3 :: 3.975 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.050 Ave N Shift Values>> N :: 109.67(3.87) 1.P27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.72 C 0.26 C Shift Assignments>> C :: 177.157 CA :: 64.530 CB :: 32.000 CG :: 27.650 CD :: 51.960 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 :: 4.363 HB2 :: 2.236 HB3 :: 2.055 HG2 :: 2.105 HG3 :: 2.045 HD2 :: 3.950 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.E28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.36 I 0.15 K 0.07 Q 0.02 C Shift Assignments>> C :: 177.000 CA :: 57.680 CB :: 28.620 CG :: 36.700 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.202 HA :: 4.260 HB2 :: 2.010 HB3 :: 2.110 HG2 :: 2.360 HG3 :: 2.290 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 :: 116.510 Ave N Shift Values>> N :: 120.67(3.48) 1.L29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.35 G 0.34 C 0.26 R 0.02 C Shift Assignments>> C :: 175.676 CA :: 55.924 CB :: 44.880 CG :: 27.600 CD1 :: 25.470 CD2 :: 23.565 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 :: 4.650 HB2 :: 1.865 HB3 :: 1.550 HG :: 1.598 HD11 :: 0.940 HD12 :: 0.940 HD13 :: 0.940 HD21 :: 0.925 HD22 :: 0.925 HD23 :: 0.925 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 :: 120.334 Ave N Shift Values>> N :: 121.86(3.9) 1.V30 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 :: 174.368 CA :: 61.110 CB :: 34.500 CG1 :: 22.500 CG2 :: 22.300 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 :: 7.486 HA :: 4.639 HB :: 1.836 HG11 :: 0.626 HG12 :: 0.626 HG13 :: 0.626 HG21 :: 0.889 HG22 :: 0.889 HG23 :: 0.889 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 118.900 Ave N Shift Values>> N :: 121.14(4.54) 1.T31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.87 C 0.12 C Shift Assignments>> C :: 172.670 CA :: 61.784 CB :: 70.483 CG2 :: 22.114 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 :: 7.947 HA :: 4.331 HB :: 3.942 HG21 :: 0.864 HG22 :: 0.864 HG23 :: 0.864 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 :: 124.000 Ave N Shift Values>> N :: 115.42(4.75) 1.L32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.32 R 0.27 L 0.23 G 0.16 C Shift Assignments>> C :: 176.425 CA :: 54.760 CB :: 43.809 CG :: 28.880 CD1 :: 25.650 CD2 :: 25.650 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 :: 8.614 HA :: 4.637 HB2 :: 1.716 HB3 :: 1.535 HG :: 1.640 HD11 :: 0.789 HD12 :: 0.789 HD13 :: 0.789 HD21 :: 0.763 HD22 :: 0.763 HD23 :: 0.763 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 :: 127.408 Ave N Shift Values>> N :: 121.86(3.9) 1.H33 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> M 0.2 K 0.15 C 0.14 R 0.13 H 0.13 W 0.08 E 0.06 Q 0.05 C Shift Assignments>> C :: 171.914 CA :: 55.300 CB :: 32.050 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 9.130 HA :: 4.420 HB2 :: 2.049 HB3 :: 1.375(S) 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 :: 120.230 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.N34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.64 D 0.14 C 0.08 F 0.04 Y 0.03 L 0.03 HN Overlap>> 1.Q90 1.Q90 C Shift Assignments>> C :: 177.930 CA :: 51.730 CB :: 38.747 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 :: 8.759 HA :: 3.600 HB2 :: 3.047 HB3 :: 2.413 HD21 :: 6.870 HD22 :: 7.600 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 :: 123.987 ND2 :: 113.000 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L35 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.58 C 0.36 G 0.03 A 0.01 C Shift Assignments>> C :: 177.363 CA :: 56.550 CB :: 42.762 CG :: 27.000 CD1 :: 23.300 CD2 :: 22.930 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 :: 8.758 HA :: 4.290 HB2 :: 1.025 HB3 :: 0.933 HG :: 1.132 HD11 :: -0.940(S) HD12 :: -0.940(S) HD13 :: -0.940(S) HD21 :: 0.543 HD22 :: 0.543 HD23 :: 0.543 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 128.751 Ave N Shift Values>> N :: 121.86(3.9) 1.K36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 K 0.45 R 0.06 C Shift Assignments>> C :: 176.540 CA :: 59.260 CB :: 32.800 CG :: 24.340 CD :: 29.130 CE :: 41.920 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 :: 8.454 HA :: 3.933 HB2 :: 1.608 HB3 :: 1.350 HG2 :: 1.292 HG3 :: 1.363 HD2 :: 1.693 HE2 :: 3.010 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 :: 120.870 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.43 L 0.3 R 0.11 C 0.05 D 0.04 F 0.02 Y 0.01 C Shift Assignments>> C :: 175.500 CA :: 54.805 CB :: 44.650 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 :: 7.270 HA :: 4.747 HB2 :: 2.366 HB3 :: 2.700 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 115.288 Ave N Shift Values>> N :: 120.65(3.86) 1.D38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 L 0.28 K 0.1 R 0.09 N 0.06 F 0.04 C 0.04 Y 0.02 G 0.01 C Shift Assignments>> C :: 174.895 CA :: 52.840 CB :: 42.240 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 :: 8.124 HA :: 4.865 HB2 :: 2.405 HB3 :: 2.225 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 121.550 Ave N Shift Values>> N :: 120.65(3.86) 1.S39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.930 CA :: 54.786 CB :: 64.840 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.330 HA :: 4.600 HB2 :: 4.140 HB3 :: 3.675 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.170 Ave N Shift Values>> N :: 116.28(3.52) 1.P40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.8 C 0.19 C Shift Assignments>> C :: 176.620 CA :: 63.870 CB :: 31.360 CG :: 27.300 CD :: 50.580 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 :: 4.000 HB2 :: 1.768 HB3 :: 1.830 HG2 :: 1.756 HG3 :: 1.873 HD2 :: 4.089 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.K41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 K 0.41 R 0.16 C Shift Assignments>> C :: 179.580 CA :: 58.000 CB :: 32.100 CG :: 24.900 CD :: 28.900 CE :: 42.190 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.230 HA :: 3.896 HB2 :: 1.748 HG2 :: 1.388 HD2 :: 1.506 HD3 :: 1.640 HE2 :: 2.913 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 :: 120.913 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L42 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.51 L 0.36 R 0.09 A 0.01 C Shift Assignments>> C :: 178.630 CA :: 57.030 CB :: 41.820 CG :: 25.700 CD1 :: 27.220 CD2 :: 22.500 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 :: 7.598 HA :: 4.025 HB2 :: 1.875 HB3 :: 1.415 HG :: 0.830 HD11 :: 1.786(S) HD12 :: 1.786(S) HD13 :: 1.786(S) HD21 :: 0.820 HD22 :: 0.820 HD23 :: 0.820 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 :: 118.206 Ave N Shift Values>> N :: 121.86(3.9) 1.M43 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.65 M 0.27 Q 0.05 C Shift Assignments>> C :: 177.710 CA :: 59.864 CB :: 32.680 CG :: 32.620 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 :: 8.180 HA :: 3.760 HB2 :: 1.697 HB3 :: 1.655 HG2 :: 0.821(S) 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 :: 118.913 Ave N Shift Values>> N :: 120.09(3.57) 1.E44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 I 0.29 E 0.19 K 0.01 C Shift Assignments>> C :: 178.120 CA :: 59.450 CB :: 29.800 CG :: 37.896 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 :: 7.205 HA :: 3.732 HB2 :: 2.223 HB3 :: 2.020 HG2 :: 2.418 HG3 :: 2.348 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 :: 110.906 Ave N Shift Values>> N :: 120.67(3.48) 1.Q45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.28 Q 0.28 C 0.24 R 0.11 M 0.05 E 0.02 C Shift Assignments>> C :: 175.480 CA :: 56.100 CB :: 28.490 CG :: 33.188 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.517 HA :: 4.190 HB2 :: 1.818 HB3 :: 1.772 HG2 :: 2.328 HE21 :: 6.890 HE22 :: 7.014 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 :: 115.770 NE2 :: 111.550 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Y46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.22 K 0.22 Y 0.17 L 0.1 C 0.1 I 0.06 R 0.05 D 0.03 C Shift Assignments>> C :: 175.480 CA :: 58.827 CB :: 41.720 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 6.955 HA :: 4.660 HB2 :: 3.430 HB3 :: 2.693 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 :: 117.840 Ave N Shift Values>> N :: 120.52(4.2) 1.D47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.29 L 0.24 K 0.12 F 0.09 D 0.07 Y 0.06 C 0.06 G 0.02 HN Overlap>> 1.D89 1.D154 1.D89 1.D154 C Shift Assignments>> C :: 175.677 CA :: 56.812 CB :: 42.978 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 :: 8.724 HA :: 4.696 HB2 :: 2.978 HB3 :: 2.900 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 121.540 Ave N Shift Values>> N :: 120.65(3.86) 1.V48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.69 V 0.3 HN Overlap>> 1.F126 1.F126 C Shift Assignments>> C :: 174.180 CA :: 60.000 CB :: 36.200 CG1 :: 20.830 CG2 :: 21.382 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 :: 7.631 HA :: 5.057 HB :: 1.850 HG11 :: 0.862 HG12 :: 0.862 HG13 :: 0.862 HG21 :: 1.072 HG22 :: 1.072 HG23 :: 1.072 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 118.666 Ave N Shift Values>> N :: 121.14(4.54) 1.L49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.72 L 0.18 C 0.08 C Shift Assignments>> C :: 174.810 CA :: 52.230 CB :: 45.400 CG :: 26.320 CD1 :: 25.000 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.469 HA :: 5.600 HB2 :: 1.978 HB3 :: 1.364 HG :: 1.354 HD11 :: 1.262 HD12 :: 1.262 HD13 :: 1.262 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 128.300 Ave N Shift Values>> N :: 121.86(3.9) 1.I50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.58 C 0.41 C Shift Assignments>> C :: 175.286 CA :: 59.900 CB :: 40.200 CG1 :: 27.290 CG2 :: 18.000 CD1 :: 14.810 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 9.213 HA :: 5.650 HB :: 1.702 HG12 :: 0.916 HG13 :: 1.574 HG21 :: 1.285 HG22 :: 1.285 HG23 :: 1.285 HD11 :: 0.730 HD12 :: 0.730 HD13 :: 0.730 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 :: 124.400 Ave N Shift Values>> N :: 121.46(4.28) 1.L51 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.44 C 0.24 G 0.14 R 0.13 K 0.03 C Shift Assignments>> C :: 174.540 CA :: 52.950 CB :: 43.190 CG :: 26.250 CD2 :: 26.800 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.256 HA :: 6.070(S) HB2 :: 2.162 HB3 :: 1.503 HG :: 1.357 HD21 :: 0.928 HD22 :: 0.928 HD23 :: 0.928 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 :: 127.410 Ave N Shift Values>> N :: 121.86(3.9) 1.G52 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.29 G 0.27 R 0.26 C 0.04 F 0.04 D 0.04 Y 0.02 C Shift Assignments>> C :: 174.330 CA :: 44.040 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.949 HA2 :: 3.816 HA3 :: 2.368(S) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.290 Ave N Shift Values>> N :: 109.67(3.87) 1.I53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.27 R 0.24 K 0.13 D 0.12 F 0.08 Y 0.05 C 0.05 G 0.01 HN Overlap>> 1.L144 1.L144 C Shift Assignments>> C :: 174.470 CA :: 55.850 CB :: 42.800 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 :: 8.612 HA :: 4.175 HB :: 1.934 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 :: 124.912 Ave N Shift Values>> N :: 121.46(4.28) 1.P54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.38 C 0.22 P 0.22 W 0.05 K 0.03 R 0.02 H 0.01 E 0.01 M 0.01 C Shift Assignments>> C :: 174.565 CA :: 61.850 CB :: 32.400 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 :: 4.812 HB2 :: 1.935 HB3 :: 2.450 HD2 :: 3.725 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.T55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.92 C 0.07 C Shift Assignments>> C :: 173.990 CA :: 62.845 CB :: 70.795 CG2 :: 21.600 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 :: 7.663 HA :: 4.522 HB :: 4.168 HG21 :: 1.560 HG22 :: 1.560 HG23 :: 1.560 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 116.040 Ave N Shift Values>> N :: 115.42(4.75) 1.W56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.16 L 0.11 M 0.09 N 0.08 H 0.07 Q 0.06 A 0.06 R 0.06 K 0.05 C 0.04 W 0.04 E 0.03 F 0.03 Y 0.03 C Shift Assignments>> CA :: 54.800 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 :: 9.075 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 :: 130.540 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.D57 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.F58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> D 0.24 L 0.22 K 0.14 F 0.13 Y 0.1 C 0.06 N 0.05 R 0.01 C Shift Assignments>> C :: 177.070 CA :: 55.460 CB :: 41.200 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>> HA :: 4.540 HB2 :: 2.693 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) 1.G59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 L 0.07 C 0.03 C Shift Assignments>> CA :: 45.763 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.392 HA2 :: 4.520 HA3 :: 3.950 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.796 Ave N Shift Values>> N :: 109.67(3.87) 1.E60 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Suspicious H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> N 0.91 D 0.08 C Shift Assignments>> C :: 175.660 CD :: 174.380(S) 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) SRO Rule Breaks>> (CD > C : 0.9907) 1.I61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.53 C 0.16 Y 0.15 F 0.13 HN Overlap>> 1.A134 1.A134 C Shift Assignments>> CA :: 62.100 CB :: 38.750 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 :: 8.436 HA :: 4.440 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 :: 122.380 Ave N Shift Values>> N :: 121.46(4.28) 1.Q62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.31 E 0.3 M 0.23 K 0.11 I 0.02 C Shift Assignments>> CB :: 30.570 CG :: 34.740 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>> HG2 :: 2.310 HG3 :: 2.495 HE21 :: 7.477 HE22 :: 6.820 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>> NE2 :: 112.800 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.E63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.42 E 0.2 K 0.12 Q 0.11 I 0.11 M 0.02 C Shift Assignments>> C :: 177.134 CA :: 60.520 CB :: 29.650 CG :: 34.980 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>> HA :: 4.030 HB3 :: 2.034 HG2 :: 2.179 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) 1.D64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.24 Y 0.19 K 0.16 L 0.13 C 0.1 D 0.08 I 0.04 R 0.01 C Shift Assignments>> C :: 178.680 CA :: 57.823 CB :: 41.100 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 :: 7.568 HA :: 4.592 HB2 :: 2.700 HB3 :: 2.165 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 119.630 Ave N Shift Values>> N :: 120.65(3.86) 1.W65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.23 W 0.17 I 0.1 E 0.1 V 0.08 R 0.08 H 0.07 Q 0.05 K 0.04 M 0.02 P 0.01 C Shift Assignments>> C :: 178.684 CA :: 60.500 CB :: 30.100 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 :: 7.416 HA :: 4.325 HB2 :: 3.287 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 :: 120.535 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.E66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 E 0.27 I 0.23 K 0.07 Q 0.03 C Shift Assignments>> C :: 178.860 CA :: 60.100 CB :: 29.010 CG :: 36.060 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 :: 8.550 HA :: 3.820 HB2 :: 2.030 HB3 :: 1.679 HG2 :: 2.150 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 :: 120.760 Ave N Shift Values>> N :: 120.67(3.48) 1.A67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.59 M 0.34 C 0.03 I 0.01 C Shift Assignments>> C :: 179.610 CA :: 54.600 CB :: 18.788 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.690 HA :: 4.247 HB1 :: 1.600 HB2 :: 1.600 HB3 :: 1.600 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 118.972 Ave N Shift Values>> N :: 123.23(3.54) 1.V68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.72 V 0.26 C Shift Assignments>> C :: 176.800 CA :: 60.060 CB :: 32.600 CG1 :: 18.790 CG2 :: 21.000 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 :: 7.240 HA :: 4.710 HB :: 2.433 HG11 :: 0.951 HG12 :: 0.951 HG13 :: 0.951 HG21 :: 0.937 HG22 :: 0.937 HG23 :: 0.937 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 :: 107.530 Ave N Shift Values>> N :: 121.14(4.54) 1.W69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.27 C 0.24 P 0.14 W 0.1 R 0.04 K 0.04 E 0.04 H 0.03 I 0.02 M 0.02 Q 0.01 C Shift Assignments>> C :: 178.640 CA :: 61.300 CB :: 31.570 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 :: 7.810 HA :: 4.182 HB2 :: 3.815 HB3 :: 3.330 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 :: 126.960 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.D70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.21 Y 0.2 D 0.19 L 0.12 C 0.11 N 0.1 I 0.02 K 0.01 C Shift Assignments>> C :: 178.685 CA :: 56.000 CB :: 39.810 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 :: 8.683 HA :: 4.519 HB2 :: 2.714 HB3 :: 2.780 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 :: 114.644 Ave N Shift Values>> N :: 120.65(3.86) 1.Q71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.27 Q 0.26 K 0.24 E 0.13 R 0.03 I 0.02 M 0.01 C Shift Assignments>> C :: 178.870 CA :: 57.617 CB :: 28.820 CG :: 34.400 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.980 HA :: 4.190 HB2 :: 2.110 HB3 :: 2.035 HG2 :: 2.490 HG3 :: 2.390 HE21 :: 6.920 HE22 :: 7.770 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 120.100 NE2 :: 112.200 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 L 0.4 R 0.03 A 0.02 C Shift Assignments>> C :: 178.308 CA :: 57.340 CB :: 41.700 CG :: 26.180 CD1 :: 21.970 CD2 :: 25.720 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 :: 7.435 HA :: 3.797 HB2 :: 1.573 HB3 :: 0.939 HG :: 1.939 HD11 :: 0.665 HD12 :: 0.665 HD13 :: 0.665 HD21 :: 0.468 HD22 :: 0.468 HD23 :: 0.468 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 117.535 Ave N Shift Values>> N :: 121.86(3.9) 1.D73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.28 Y 0.26 C 0.12 D 0.1 L 0.1 I 0.06 N 0.02 K 0.02 C Shift Assignments>> C :: 177.553 CA :: 57.350 CB :: 40.040 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 :: 7.495 HA :: 4.150 HB2 :: 2.658 HB3 :: 2.614 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 115.534 Ave N Shift Values>> N :: 120.65(3.86) 1.D74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.28 L 0.26 K 0.15 F 0.07 N 0.05 R 0.05 Y 0.05 C 0.04 C Shift Assignments>> C :: 176.424 CA :: 54.170 CB :: 41.820 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 :: 7.374 HA :: 4.706 HB2 :: 2.800 HB3 :: 2.490 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 :: 117.300 Ave N Shift Values>> N :: 120.65(3.86) 1.L75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.42 C 0.33 G 0.1 L 0.08 A 0.05 C Shift Assignments>> C :: 176.800 CA :: 54.400 CB :: 43.280 CG :: 26.070 CD1 :: 23.060 CD2 :: 28.600 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 :: 6.966 HA :: 4.295 HB2 :: 1.658 HB3 :: 1.040 HG :: 1.934 HD11 :: 0.685 HD12 :: 0.685 HD13 :: 0.685 HD21 :: 0.777 HD22 :: 0.777 HD23 :: 0.777 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 :: 118.500 Ave N Shift Values>> N :: 121.86(3.9) 1.N76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.66 C 0.13 D 0.05 Y 0.03 F 0.03 M 0.02 E 0.02 L 0.01 C Shift Assignments>> C :: 174.927 CA :: 51.881 CB :: 37.510 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 :: 9.882 HA :: 4.862 HB2 :: 2.924 HB3 :: 2.686 HD21 :: 7.570 HD22 :: 6.843 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 :: 123.040 ND2 :: 111.870 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.39 A 0.33 C 0.16 G 0.07 R 0.02 C Shift Assignments>> C :: 175.110 CA :: 52.200 CB :: 42.786 CG :: 26.400 CD1 :: 22.000 CD2 :: 25.400 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.700 HA :: 4.370 HB2 :: 1.450 HB3 :: 1.232 HG :: 1.340 HD11 :: 0.528 HD12 :: 0.528 HD13 :: 0.528 HD21 :: 0.590 HD22 :: 0.590 HD23 :: 0.590 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 :: 123.614 Ave N Shift Values>> N :: 121.86(3.9) 1.E78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.35 I 0.12 K 0.07 Q 0.04 M 0.02 C Shift Assignments>> C :: 178.670 CA :: 58.700 CB :: 29.467 CG :: 36.300 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 :: 7.665 HA :: 3.900 HB2 :: 2.017 HB3 :: 2.073 HG2 :: 2.362 HG3 :: 2.305 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 :: 120.822 Ave N Shift Values>> N :: 120.67(3.48) 1.G79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.85 L 0.08 C 0.02 C Shift Assignments>> C :: 174.523 CA :: 45.420 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.450 HA2 :: 4.288 HA3 :: 3.650 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 113.160 Ave N Shift Values>> N :: 109.67(3.87) 1.K80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 R 0.34 G 0.1 K 0.1 C Shift Assignments>> C :: 175.304 CA :: 56.890 CB :: 33.120 CG :: 26.572 CD :: 28.400 CE :: 43.670 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 :: 7.758 HA :: 4.358 HB2 :: 1.666 HB3 :: 1.580 HG2 :: 1.490 HG3 :: 1.240 HD2 :: 1.620 HD3 :: 1.900 HE2 :: 3.066 HE3 :: 3.405 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 :: 120.283 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.52 C 0.47 C Shift Assignments>> C :: 174.750 CA :: 59.820 CB :: 38.850 CG1 :: 28.400 CG2 :: 19.300 CD1 :: 13.240 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 :: 7.405 HA :: 4.806 HB :: 1.846 HG12 :: 1.606 HG13 :: 0.893 HG21 :: 0.816 HG22 :: 0.816 HG23 :: 0.816 HD11 :: 0.660 HD12 :: 0.660 HD13 :: 0.660 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 :: 122.288 Ave N Shift Values>> N :: 121.46(4.28) 1.V82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.65 V 0.34 C Shift Assignments>> C :: 172.680 CA :: 60.100 CB :: 35.280 CG1 :: 22.000 CG2 :: 22.900 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 :: 8.800 HA :: 5.280 HB :: 1.460 HG11 :: 0.716 HG12 :: 0.716 HG13 :: 0.716 HG21 :: 1.000 HG22 :: 1.000 HG23 :: 1.000 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 :: 127.793 Ave N Shift Values>> N :: 121.14(4.54) 1.A83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.44 C 0.22 A 0.15 P 0.09 K 0.05 C Shift Assignments>> C :: 175.870 CA :: 50.000 CB :: 23.722 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.252 HA :: 5.389 HB1 :: 1.347 HB2 :: 1.347 HB3 :: 1.347 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 130.911 Ave N Shift Values>> N :: 123.23(3.54) 1.L84 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.58 L 0.21 C 0.18 R 0.02 C Shift Assignments>> C :: 175.490 CA :: 53.670 CB :: 45.000 CG :: 26.890 CD1 :: 26.500 CD2 :: 26.500 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 :: 10.378(S) HA :: 5.508 HB2 :: 2.097 HB3 :: 1.315 HG :: 2.220 HD11 :: 0.927 HD12 :: 0.927 HD13 :: 0.927 HD21 :: 0.997 HD22 :: 0.997 HD23 :: 0.997 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 :: 124.269 Ave N Shift Values>> N :: 121.86(3.9) 1.Y85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.3 L 0.29 D 0.1 K 0.08 F 0.07 C 0.05 Y 0.04 G 0.03 C Shift Assignments>> C :: 172.661 CA :: 55.853 CB :: 43.200 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 :: 9.200 HA :: 4.950 HB2 :: 2.042 HB3 :: 1.993 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 :: 115.826 Ave N Shift Values>> N :: 120.52(4.2) 1.G86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.61 L 0.2 R 0.08 C 0.04 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> C :: 170.348 CA :: 44.687 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.752 HA2 :: 4.700 HA3 :: 3.210 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.802 Ave N Shift Values>> N :: 109.67(3.87) 1.L87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.65 L 0.2 C 0.13 C Shift Assignments>> C :: 177.720 CA :: 52.630 CB :: 45.900 CG :: 26.460 CD1 :: 25.300 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 :: 6.320 HA :: 5.476 HB2 :: 2.045 HB3 :: 1.390 HG :: 1.930 HD11 :: 1.081 HD12 :: 1.081 HD13 :: 1.081 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 :: 120.860 Ave N Shift Values>> N :: 121.86(3.9) 1.G88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 L 0.07 C 0.03 C Shift Assignments>> C :: 171.386 CA :: 45.710 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.320 HA2 :: 4.530 HA3 :: 3.793 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.910 Ave N Shift Values>> N :: 109.67(3.87) 1.D89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.35 L 0.25 N 0.11 K 0.09 C 0.05 R 0.04 F 0.04 Y 0.02 HN Overlap>> 1.D47 1.D47 1.D154 1.D154 C Shift Assignments>> C :: 176.608 CA :: 52.200 CB :: 41.900 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 :: 8.800 HA :: 5.190 HB2 :: 2.900 HB3 :: 3.125 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 121.580 Ave N Shift Values>> N :: 120.65(3.86) 1.Q90 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.31 Q 0.24 K 0.23 E 0.12 I 0.03 R 0.03 M 0.01 HN Overlap>> 1.N34 1.N34 C Shift Assignments>> C :: 173.523 CA :: 58.706 CB :: 28.800 CG :: 34.347 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 :: 8.726 HA :: 3.645 HB2 :: 2.473 HB3 :: 0.648(S) HG2 :: 2.003 HG3 :: 2.200 HE21 :: 6.166 HE22 :: 8.948(S) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 123.900 NE2 :: 109.700 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.61 C 0.32 A 0.03 R 0.02 C Shift Assignments>> C :: 179.840 CA :: 55.800 CB :: 41.640 CG :: 27.200 CD1 :: 24.950 CD2 :: 22.600 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 :: 7.092 HA :: 4.470 HB2 :: 1.650 HB3 :: 1.526 HG :: 1.465 HD11 :: 0.893 HD12 :: 0.893 HD13 :: 0.893 HD21 :: 0.824 HD22 :: 0.824 HD23 :: 0.824 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 117.080 Ave N Shift Values>> N :: 121.86(3.9) 1.G92 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 :: 174.824 CA :: 46.390 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.243 HA2 :: 3.857 HA3 :: 3.528 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.460 Ave N Shift Values>> N :: 109.67(3.87) 1.Y93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.29 F 0.28 C 0.15 I 0.08 D 0.07 L 0.05 N 0.03 HN Overlap>> 1.L138 1.S128 1.L138 1.S128 C Shift Assignments>> C :: 177.805 CA :: 57.430 CB :: 39.300 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 :: 7.252 HA :: 5.173 HB2 :: 3.707 HB3 :: 3.095 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 :: 118.140 Ave N Shift Values>> N :: 120.52(4.2) 1.G94 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.75 A 0.11 N 0.05 D 0.02 C 0.01 C Shift Assignments>> C :: 177.740 CA :: 49.880(S) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.154 HA2 :: 4.070 HA3 :: 4.347 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.455 Ave N Shift Values>> N :: 109.67(3.87) 1.E95 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.43 E 0.26 I 0.19 K 0.05 Q 0.04 R 0.01 C Shift Assignments>> C :: 175.145 CA :: 57.950 CB :: 27.400 CG :: 36.340 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.829 HA :: 4.000 HB2 :: 0.622(S) HB3 :: 0.660(S) HG2 :: 1.753 HG3 :: 1.587 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 123.040 Ave N Shift Values>> N :: 120.67(3.48) 1.W96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.14 W 0.14 H 0.14 R 0.13 Q 0.13 C 0.12 K 0.09 M 0.05 I 0.01 C Shift Assignments>> C :: 176.616 CA :: 57.120 CB :: 29.970 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 :: 7.785 HA :: 5.213 HB2 :: 3.550 HB3 :: 3.068 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 :: 118.000 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.F97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.29 Y 0.24 C 0.12 K 0.1 I 0.1 L 0.08 D 0.04 C Shift Assignments>> CA :: 58.742 CB :: 40.835 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 7.054 HA :: 4.660 HB2 :: 3.390 HB3 :: 3.110 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 123.268 Ave N Shift Values>> N :: 120.45(4.18) 1.L98 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> C 0.66 L 0.3 A 0.03 C Shift Assignments>> C :: 176.613 CA :: 56.000 CB :: 38.600 CG :: 25.700 CD1 :: 23.200 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.584 HA :: 3.440 HB2 :: 1.195 HG :: -0.615(S) HD11 :: -0.142 HD12 :: -0.142 HD13 :: -0.142 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) 1.D99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.3 Y 0.27 I 0.16 C 0.14 L 0.04 K 0.03 D 0.02 C Shift Assignments>> C :: 178.876 CA :: 59.260 CB :: 40.350 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 :: 8.326 HA :: 3.965 HB2 :: 2.560 HB3 :: 2.598 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 123.268 Ave N Shift Values>> N :: 120.65(3.86) 1.A100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.6 M 0.24 C 0.06 L 0.03 V 0.02 I 0.01 C Shift Assignments>> C :: 178.490 CA :: 55.100 CB :: 19.700 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.400 HA :: 3.822 HB1 :: 1.083 HB2 :: 1.083 HB3 :: 1.083 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.124 Ave N Shift Values>> N :: 123.23(3.54) 1.L101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.45 C 0.35 R 0.08 K 0.07 G 0.02 C Shift Assignments>> C :: 179.050 CA :: 57.800 CB :: 42.650 CG :: 26.500 CD1 :: 26.000 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 :: 6.518 HA :: 3.674 HB2 :: 1.080 HB3 :: 1.908 HG :: 0.477 HD11 :: 0.315 HD12 :: 0.315 HD13 :: 0.315 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 :: 118.687 Ave N Shift Values>> N :: 121.86(3.9) 1.G102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.68 C 0.1 P 0.08 A 0.06 L 0.03 N 0.01 C Shift Assignments>> C :: 176.056 CA :: 47.750 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.712 HA2 :: 3.430 HA3 :: 3.576 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 104.410 Ave N Shift Values>> N :: 109.67(3.87) 1.M103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.24 V 0.14 K 0.13 W 0.1 R 0.09 M 0.08 H 0.07 E 0.06 Q 0.04 C Shift Assignments>> C :: 179.650 CA :: 59.450 CB :: 32.300 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 :: 8.485 HA :: 4.256 HB2 :: 2.762 HB3 :: 2.687 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 :: 120.550 Ave N Shift Values>> N :: 120.09(3.57) 1.L104 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.52 L 0.44 R 0.02 C Shift Assignments>> C :: 177.750 CA :: 58.100 CB :: 41.450 CG :: 26.800 CD1 :: 22.580 CD2 :: 25.450 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 :: 8.392 HA :: 4.061 HB2 :: 1.872 HB3 :: 1.442 HG :: 0.237(S) HD11 :: 0.420 HD12 :: 0.420 HD13 :: 0.420 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 :: 123.480 Ave N Shift Values>> N :: 121.86(3.9) 1.H105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.29 C 0.22 W 0.13 K 0.06 E 0.06 H 0.04 Q 0.04 R 0.04 P 0.03 V 0.03 C Shift Assignments>> C :: 177.550 CA :: 61.000 CB :: 28.820 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.247 HA :: 3.852 HB2 :: 2.827 HB3 :: 3.278 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 119.570 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.D106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.27 Y 0.24 C 0.11 L 0.11 D 0.08 K 0.07 I 0.06 N 0.01 C Shift Assignments>> C :: 179.410 CA :: 57.800 CB :: 40.600 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 :: 8.550 HA :: 4.333 HB2 :: 2.800 HB3 :: 2.910 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 119.780 Ave N Shift Values>> N :: 120.65(3.86) 1.K107 Overall: Anomalous Typing: Suspicious SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.99 C Shift Assignments>> C :: 178.316 CA :: 58.750 CB :: 31.850 CG :: 23.730 CD :: 40.780(A) 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 :: 7.995 HA :: 4.100 HB2 :: 1.917 HB3 :: 1.715 HG2 :: 1.160 HG3 :: 0.876 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 121.660 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.43 C 0.39 R 0.11 A 0.05 C Shift Assignments>> C :: 179.050 CA :: 56.240 CB :: 41.800 CG :: 26.920 CD1 :: 27.000 CD2 :: 22.050 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 :: 8.072 HA :: 4.010 HB2 :: 1.922 HB3 :: 1.414 HG :: 1.782 HD11 :: 0.772 HD12 :: 0.772 HD13 :: 0.772 HD21 :: 0.555 HD22 :: 0.555 HD23 :: 0.555 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 116.050 Ave N Shift Values>> N :: 121.86(3.9) 1.S109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.848 CA :: 62.410 CB :: 62.850 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.366 HA :: 4.300 HB2 :: 4.110 HB3 :: 4.040 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 :: 116.280 Ave N Shift Values>> N :: 116.28(3.52) 1.T110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.89 C 0.09 C Shift Assignments>> C :: 175.675 CA :: 62.030 CB :: 68.810 CG2 :: 21.670 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 :: 7.185 HA :: 4.614 HB :: 4.593 HG21 :: 1.320 HG22 :: 1.320 HG23 :: 1.320 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 110.416 Ave N Shift Values>> N :: 115.42(4.75) 1.K111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.66 K 0.2 R 0.1 A 0.01 HN Overlap>> 1.K20 1.K20 1.N166 1.N166 C Shift Assignments>> C :: 176.814 CA :: 55.730 CB :: 30.930 CG :: 23.600 CD :: 27.270 CE :: 40.800 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 :: 7.710 HA :: 4.513 HB2 :: 2.178 HB3 :: 1.796 HG2 :: 1.790 HD2 :: 1.530 HD3 :: 1.755 HE2 :: 3.100 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 :: 120.090 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 C 0.05 L 0.05 C Shift Assignments>> C :: 176.223 CA :: 46.926 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.315 HA2 :: 4.050 HA3 :: 3.900 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.540 Ave N Shift Values>> N :: 109.67(3.87) 1.V113 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.87 V 0.12 C Shift Assignments>> C :: 174.560 CA :: 59.550 CB :: 32.800 CG1 :: 18.220 CG2 :: 22.000 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 :: 6.835 HA :: 4.494 HB :: 1.743 HG11 :: -0.148(S) HG12 :: -0.148(S) HG13 :: -0.148(S) HG21 :: 0.600 HG22 :: 0.600 HG23 :: 0.600 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 :: 113.536 Ave N Shift Values>> N :: 121.14(4.54) 1.K114 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.58 C 0.32 R 0.07 G 0.01 C Shift Assignments>> C :: 174.925 CA :: 54.280 CB :: 33.630 CG :: 24.586 CD :: 29.150 CE :: 42.160 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 :: 8.480 HA :: 4.494 HB2 :: 1.450 HG2 :: 1.150 HG3 :: 1.055 HD2 :: 1.430 HD3 :: -0.137(S) HE2 :: 2.815 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 122.920 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.F115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.27 Y 0.22 K 0.15 C 0.11 L 0.09 I 0.08 D 0.04 R 0.01 C Shift Assignments>> C :: 177.580 CA :: 58.677 CB :: 41.120 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 :: 8.506 HA :: 5.700 HB2 :: 3.105 HB3 :: 2.859 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 123.140 Ave N Shift Values>> N :: 120.45(4.18) 1.V116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.91 V 0.06 A 0.01 C Shift Assignments>> C :: 175.300 CA :: 58.877 CB :: 34.120 CG1 :: 18.240 CG2 :: 22.590 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 :: 8.860 HA :: 4.478 HB :: 2.344 HG11 :: 0.562 HG12 :: 0.562 HG13 :: 0.562 HG21 :: 0.723 HG22 :: 0.723 HG23 :: 0.723 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 115.737 Ave N Shift Values>> N :: 121.14(4.54) 1.G117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.78 C 0.09 L 0.04 A 0.03 P 0.03 C Shift Assignments>> C :: 176.110 CA :: 47.500 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.838 HA2 :: 4.295 HA3 :: 3.667 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.137 Ave N Shift Values>> N :: 109.67(3.87) 1.Y118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.28 C 0.23 M 0.15 Y 0.07 K 0.06 N 0.05 Q 0.04 F 0.03 I 0.01 C Shift Assignments>> C :: 177.630 CA :: 55.800 CB :: 35.970 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 :: 8.652 HA :: 4.970 HB2 :: 3.211 HB3 :: 3.125 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 :: 120.380 Ave N Shift Values>> N :: 120.52(4.2) 1.W119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.24 N 0.21 E 0.17 M 0.16 Y 0.05 K 0.04 Q 0.03 F 0.03 C Shift Assignments>> C :: 173.000 CA :: 53.820 CB :: 36.050 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 8.070 HA :: 6.021 HB2 :: 3.573 HB3 :: 3.212 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 :: 126.040 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.P120 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> P 0.75 C 0.24 C Shift Assignments>> C :: 176.870 CA :: 63.780 CB :: 31.990 CG :: 27.800 CD :: 51.400 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 :: 4.784 HB2 :: 2.504 HB3 :: 1.830 HG2 :: 1.687 HD2 :: 3.810 HD3 :: 2.203(S) 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.T121 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> T 0.89 C 0.1 C Shift Assignments>> C :: 176.324 CA :: 61.250 CB :: 69.730 CG2 :: 20.920 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 :: 7.370 HA :: 4.073 HB :: 4.254 HG21 :: -0.190(S) HG22 :: -0.190(S) HG23 :: -0.190(S) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 109.310 Ave N Shift Values>> N :: 115.42(4.75) 1.E122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.33 K 0.1 Q 0.08 I 0.06 M 0.04 C Shift Assignments>> C :: 177.737 CA :: 58.200 CB :: 29.800 CG :: 35.870 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 :: 7.260 HA :: 4.224 HB2 :: 2.060 HB3 :: 1.930 HG2 :: 2.276 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 123.937 Ave N Shift Values>> N :: 120.67(3.48) 1.G123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.85 L 0.08 C 0.02 R 0.01 C Shift Assignments>> C :: 173.783 CA :: 45.380 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.144 HA2 :: 4.212 HA3 :: 3.649 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 114.563 Ave N Shift Values>> N :: 109.67(3.87) 1.Y124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.2 L 0.17 Y 0.16 K 0.16 D 0.13 C 0.08 I 0.02 N 0.01 R 0.01 C Shift Assignments>> C :: 175.673 CA :: 56.950 CB :: 41.100 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 :: 7.895 HA :: 5.218 HB2 :: 3.360 HB3 :: 2.790 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 :: 118.800 Ave N Shift Values>> N :: 120.52(4.2) 1.E125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.31 C 0.31 M 0.26 Q 0.08 K 0.02 C Shift Assignments>> C :: 172.877 CA :: 55.700 CB :: 31.340 CG :: 35.770 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.185 HA :: 4.685 HB2 :: 1.900 HB3 :: 1.800 HG2 :: 2.100 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 124.790 Ave N Shift Values>> N :: 120.67(3.48) 1.F126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.25 Y 0.22 D 0.14 L 0.13 C 0.11 I 0.04 K 0.04 N 0.03 HN Overlap>> 1.V48 1.V48 C Shift Assignments>> C :: 173.800 CA :: 56.950 CB :: 40.300 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 7.645 HA :: 4.841 HB2 :: 3.427 HB3 :: 3.190 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 118.670 Ave N Shift Values>> N :: 120.45(4.18) 1.T127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.85 C 0.14 C Shift Assignments>> C :: 175.100 CA :: 61.080 CB :: 70.500 CG2 :: 22.000 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.306 HA :: 4.370 HB :: 4.236 HG21 :: 0.998 HG22 :: 0.998 HG23 :: 0.998 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 :: 107.038 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.Y93 1.L138 1.Y93 1.L138 C Shift Assignments>> C :: 175.760 CA :: 55.813 CB :: 65.300 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.354 HA :: 4.650 HB2 :: 4.000 HB3 :: 4.076 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 :: 118.150 Ave N Shift Values>> N :: 116.28(3.52) 1.P129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.68 C 0.31 C Shift Assignments>> C :: 178.860 CA :: 62.728 CB :: 32.400 CD :: 50.700 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 :: 4.764 HB2 :: 2.212 HB3 :: 2.063 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.K130 Overall: Anomalous Typing: Suspicious SRO: Consistent C Shifts: Anomalous H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.74 R 0.23 G 0.01 C Shift Assignments>> C :: 176.890 CA :: 61.375 CB :: 30.350 CG :: 26.560 CD :: 41.980(A) 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 :: 8.430 HA :: 4.210 HB2 :: 2.060 HB3 :: 1.615 HG2 :: 1.585 HG3 :: 1.434 HD2 :: 3.010(S) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 122.158 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.P131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.44 V 0.4 C 0.1 I 0.01 W 0.01 C Shift Assignments>> C :: 173.810 CA :: 64.510 CB :: 31.745 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 :: 4.533 HB2 :: 2.068 HB3 :: 1.760 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.V132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.75 V 0.23 C Shift Assignments>> C :: 175.137 CA :: 59.800 CB :: 34.780 CG1 :: 19.730 CG2 :: 23.088 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 :: 6.716 HA :: 5.158 HB :: 1.924 HG11 :: 0.917 HG12 :: 0.917 HG13 :: 0.917 HG21 :: 0.827 HG22 :: 0.827 HG23 :: 0.827 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 :: 114.480 Ave N Shift Values>> N :: 121.14(4.54) 1.I133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.51 C 0.46 G 0.01 HN Overlap>> 1.M3 1.M3 C Shift Assignments>> C :: 175.485 CA :: 60.000 CB :: 42.020 CG1 :: 26.410 CG2 :: 17.712 CD1 :: 13.500 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 :: 8.740 HA :: 4.392 HB :: 1.673 HG12 :: 0.900 HG13 :: 0.493 HG21 :: 0.410 HG22 :: 0.410 HG23 :: 0.410 HD11 :: 0.145 HD12 :: 0.145 HD13 :: 0.145 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 :: 120.670 Ave N Shift Values>> N :: 121.46(4.28) 1.A134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.57 M 0.41 C 0.01 HN Overlap>> 1.I61 1.I61 C Shift Assignments>> C :: 178.387 CA :: 53.050 CB :: 16.982 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.490 HA :: 3.953 HB1 :: 1.300 HB2 :: 1.300 HB3 :: 1.300 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.454 Ave N Shift Values>> N :: 123.23(3.54) 1.D135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.25 N 0.17 F 0.16 Y 0.14 L 0.13 C 0.09 I 0.01 K 0.01 C Shift Assignments>> C :: 176.390 CA :: 55.120 CB :: 39.865 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 :: 8.620 HA :: 4.244 HB2 :: 2.896 HB3 :: 2.653 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 :: 117.310 Ave N Shift Values>> N :: 120.65(3.86) 1.G136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 L 0.11 C 0.03 R 0.02 F 0.01 C Shift Assignments>> C :: 174.940 CA :: 45.150 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.592 HA2 :: 4.254 HA3 :: 3.351 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 104.336 Ave N Shift Values>> N :: 109.67(3.87) 1.Q137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 Q 0.23 E 0.18 M 0.13 K 0.13 C Shift Assignments>> C :: 176.420 CA :: 57.760 CB :: 30.400 CG :: 34.480 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.843 HA :: 4.062 HB2 :: 2.248 HB3 :: 2.140 HG2 :: 2.498 HG3 :: 2.314 HE21 :: 7.825 HE22 :: 7.745 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 118.675 NE2 :: 110.470 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L138 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.48 C 0.25 A 0.13 L 0.12 HN Overlap>> 1.Y93 1.Y93 1.S128 1.S128 C Shift Assignments>> C :: 175.700 CA :: 53.705 CB :: 46.480 CG :: 25.900 CD1 :: 22.811 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 :: 7.356 HA :: 4.961 HB2 :: 1.300 HB3 :: 1.224 HG :: 0.840 HD11 :: 0.768 HD12 :: 0.768 HD13 :: 0.768 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 :: 118.160 Ave N Shift Values>> N :: 121.86(3.9) 1.F139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.34 L 0.27 G 0.08 F 0.07 C 0.06 D 0.05 Y 0.04 K 0.04 C Shift Assignments>> C :: 178.850 CA :: 56.670 CB :: 43.652 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 :: 10.026 HA :: 5.344 HB2 :: 3.510 HB3 :: 3.020 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 119.060 Ave N Shift Values>> N :: 120.45(4.18) 1.V140 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.91 V 0.07 C Shift Assignments>> C :: 172.860 CA :: 61.812 CB :: 30.250 CG1 :: 17.672 CG2 :: 20.944 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 :: 7.550 HA :: 3.500 HB :: 1.800 HG11 :: 0.377 HG12 :: 0.377 HG13 :: 0.377 HG21 :: -0.217(S) HG22 :: -0.217(S) HG23 :: -0.217(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 :: 109.905 Ave N Shift Values>> N :: 121.14(4.54) 1.G141 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.85 L 0.08 C 0.02 HN Overlap>> 1.G8 1.G8 C Shift Assignments>> C :: 171.350 CA :: 45.460 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.052 HA2 :: 4.634 HA3 :: 3.908 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.600 Ave N Shift Values>> N :: 109.67(3.87) 1.L142 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> C 0.55 A 0.43 L 0.01 C Shift Assignments>> CA :: 55.600 CB :: 37.930 CG :: 25.692 CD1 :: 20.176 CD2 :: 24.660 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 :: 7.643 HA :: 4.962 HB2 :: 0.080(S) HB3 :: -1.635(A) HG :: 0.425 HD11 :: -0.888(S) HD12 :: -0.888(S) HD13 :: -0.888(S) HD21 :: -0.261(S) HD22 :: -0.261(S) HD23 :: -0.261(S) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 117.820 Ave N Shift Values>> N :: 121.86(3.9) 1.A143 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> L 0.38 A 0.28 C 0.23 P 0.03 G 0.03 K 0.03 C Shift Assignments>> C :: 175.505 CA :: 49.600 CB :: 23.330 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> HA :: 4.220 HB1 :: 0.216(S) HB2 :: 0.216(S) HB3 :: 0.216(S) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) 1.L144 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.73 C 0.09 L 0.08 A 0.08 HN Overlap>> 1.I53 1.I53 C Shift Assignments>> C :: 174.700 CA :: 52.790 CB :: 45.300 CG :: 25.380 CD1 :: 22.810 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 :: 8.583 HA :: 4.780 HB2 :: 1.952 HB3 :: 1.236 HG :: 0.635 HD11 :: 0.815 HD12 :: 0.815 HD13 :: 0.815 HD21 :: 0.635 HD22 :: 0.635 HD23 :: 0.635 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 :: 124.960 Ave N Shift Values>> N :: 121.86(3.9) 1.D145 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.33 R 0.23 D 0.18 G 0.06 K 0.05 C 0.04 F 0.04 Y 0.02 N 0.01 C Shift Assignments>> C :: 176.180 CA :: 53.600 CB :: 43.180 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 :: 8.232 HA :: 5.422 HB2 :: 2.805 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 119.100 Ave N Shift Values>> N :: 120.65(3.86) 1.E146 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.T147 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> T 0.97 C 0.02 C Shift Assignments>> C :: 175.858 CA :: 66.400 CB :: 69.400 CG2 :: 21.200 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 :: 8.745 HA :: 4.093 HB :: 4.345 HG21 :: 1.292 HG22 :: 1.292 HG23 :: 1.292 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) 1.N148 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Suspicious PRTL>> D 0.31 L 0.26 K 0.12 N 0.07 F 0.05 R 0.05 C 0.04 Y 0.03 C Shift Assignments>> C :: 175.750 CA :: 53.400 CB :: 41.900 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 :: 8.975 HA :: 5.010 HB2 :: 2.870 HB3 :: 2.390 HD21 :: 8.220 HD22 :: 10.000(S) 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 :: 115.408 ND2 :: 124.500(S) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.Q149 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.35 K 0.23 C 0.22 M 0.12 E 0.03 R 0.01 C Shift Assignments>> C :: 178.280 CA :: 53.730 CB :: 29.790 CG :: 33.650 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.430 HA :: 4.936 HB2 :: 2.070 HB3 :: 2.215 HG2 :: 2.463 HG3 :: 1.885 HE21 :: 6.808 HE22 :: 7.787 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 117.900 NE2 :: 115.600 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Y150 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.3 F 0.27 C 0.17 I 0.12 D 0.04 L 0.03 E 0.02 N 0.02 C Shift Assignments>> C :: 178.680 CA :: 57.930 CB :: 38.860 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 :: 8.115 HA :: 4.671 HB2 :: 2.715 HB3 :: 2.748 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 :: 121.060 Ave N Shift Values>> N :: 120.52(4.2) 1.D151 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.24 L 0.2 F 0.14 Y 0.1 R 0.1 D 0.1 C 0.06 I 0.01 C Shift Assignments>> CA :: 57.000 CB :: 42.000 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 :: 8.282 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 121.175 Ave N Shift Values>> N :: 120.65(3.86) 1.L152 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> L 0.55 C 0.31 A 0.11 G 0.01 C Shift Assignments>> C :: 178.300 CA :: 54.788 CB :: 42.200 CG :: 25.570 CD1 :: 22.580 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>> HA :: 4.590 HB2 :: 1.617 HG :: 0.782 HD11 :: 0.773 HD12 :: 0.773 HD13 :: 0.773 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) 1.S153 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 63.400 CB :: 63.200 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.378 HA :: 3.911 HB2 :: 3.783 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 :: 116.170 Ave N Shift Values>> N :: 116.28(3.52) 1.D154 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.3 Y 0.28 I 0.18 C 0.14 L 0.03 D 0.02 K 0.01 HN Overlap>> 1.D47 1.D89 1.D47 1.D89 C Shift Assignments>> CA :: 59.300 CB :: 40.000 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 :: 8.745 HA :: 4.240 HB2 :: 2.660 HB3 :: 2.615 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 121.640 Ave N Shift Values>> N :: 120.65(3.86) 1.E155 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.38 E 0.35 I 0.18 K 0.05 Q 0.01 M 0.01 C Shift Assignments>> C :: 179.420 CA :: 59.200 CB :: 29.480 CG :: 36.600 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 :: 8.645 HA :: 4.170 HB2 :: 2.164 HB3 :: 2.630 HG2 :: 2.370 HG3 :: 2.486 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) 1.R156 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 K 0.25 R 0.12 M 0.05 Q 0.02 P 0.02 C Shift Assignments>> C :: 177.350 CA :: 59.950 CB :: 31.100 CG :: 29.160 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 :: 8.045 HA :: 4.276 HB2 :: 1.670 HB3 :: 1.886 HD2 :: 3.300 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 121.230 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.I157 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.7 C 0.29 C Shift Assignments>> C :: 178.480 CA :: 66.560 CB :: 38.480 CG1 :: 31.240 CG2 :: 18.850 CD1 :: 14.200 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 :: 8.705 HA :: 3.430 HB :: 1.814 HG12 :: 0.373 HG13 :: 1.870 HG21 :: 0.704 HG22 :: 0.704 HG23 :: 0.704 HD11 :: 0.735 HD12 :: 0.735 HD13 :: 0.735 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 :: 118.190 Ave N Shift Values>> N :: 121.46(4.28) 1.Q158 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 K 0.19 Q 0.16 I 0.05 R 0.04 P 0.04 E 0.03 C Shift Assignments>> C :: 178.730 CA :: 60.700 CB :: 28.482 CG :: 33.730 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 :: 8.262 HA :: 3.956 HB2 :: 2.260 HG2 :: 2.445 HE21 :: 6.788 HE22 :: 7.782 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 :: 119.975 NE2 :: 113.030 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.S159 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 T 0.01 C Shift Assignments>> C :: 177.320 CA :: 63.500 CB :: 63.818 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.440 HA :: 4.446 HB2 :: 4.460 HB3 :: 4.420 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.466 Ave N Shift Values>> N :: 116.28(3.52) 1.W160 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.38 C 0.24 V 0.11 W 0.09 P 0.08 E 0.02 K 0.01 R 0.01 H 0.01 Q 0.01 C Shift Assignments>> C :: 177.934 CA :: 62.745 CB :: 29.350 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 :: 9.243 HA :: 4.454 HB2 :: 3.075 HB3 :: 2.748 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 :: 126.784 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.C161 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.44 P 0.43 C 0.09 V 0.01 C Shift Assignments>> C :: 176.245 CA :: 65.300 CB :: 27.723 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.845 HA :: 3.886 HB2 :: 3.178 HB3 :: 2.355 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 :: 116.395 Ave N Shift Values>> N :: 120.17(4.64) 1.E162 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 E 0.32 I 0.19 K 0.05 Q 0.02 M 0.01 C Shift Assignments>> C :: 178.700 CA :: 59.800 CB :: 29.500 CG :: 36.330 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 :: 7.512 HA :: 3.920 HB2 :: 2.186 HG2 :: 2.510 HG3 :: 2.260 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 :: 118.030 Ave N Shift Values>> N :: 120.67(3.48) 1.Q163 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 K 0.28 Q 0.15 R 0.08 M 0.04 P 0.01 C Shift Assignments>> C :: 179.700 CA :: 59.688 CB :: 28.900 CG :: 32.582 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 :: 8.148 HA :: 4.173 HB2 :: 2.520 HB3 :: 2.437 HG2 :: 2.500 HE21 :: 7.756 HE22 :: 7.834 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 120.650 NE2 :: 110.630 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.I164 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.88 C 0.11 C Shift Assignments>> C :: 178.676 CA :: 66.160 CB :: 37.630 CG1 :: 25.237 CG2 :: 17.300 CD1 :: 12.500 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 :: 8.958 HA :: 4.060 HB :: 1.393 HG12 :: 1.170 HG13 :: 0.978 HG21 :: -0.031 HG22 :: -0.031 HG23 :: -0.031 HD11 :: -0.166 HD12 :: -0.166 HD13 :: -0.166 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 :: 114.836 Ave N Shift Values>> N :: 121.46(4.28) 1.L165 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.61 L 0.34 R 0.02 C Shift Assignments>> C :: 180.548 CA :: 58.150 CB :: 41.130 CG :: 27.300 CD1 :: 22.300 CD2 :: 25.700 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 :: 7.830 HA :: 4.100 HB2 :: 1.926 HB3 :: 1.400 HG :: 1.815 HD11 :: 0.844 HD12 :: 0.844 HD13 :: 0.844 HD21 :: 0.848 HD22 :: 0.848 HD23 :: 0.848 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 :: 123.700 Ave N Shift Values>> N :: 121.86(3.9) 1.N166 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.22 F 0.19 C 0.17 N 0.15 D 0.09 L 0.04 E 0.04 I 0.03 M 0.01 HN Overlap>> 1.K20 1.K111 1.K20 1.K111 C Shift Assignments>> C :: 175.690 CA :: 55.946 CB :: 38.480 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 :: 7.706 HA :: 4.570 HB2 :: 3.068 HB3 :: 2.902 HD21 :: 7.020 HD22 :: 7.636 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 :: 120.160 ND2 :: 114.100 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.E167 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.67 I 0.19 E 0.1 M 0.01 C Shift Assignments>> C :: 180.520 CA :: 59.920 CB :: 30.925 CG :: 38.390 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 :: 8.868 HA :: 4.104 HB2 :: 2.206 HB3 :: 2.092 HG2 :: 2.757 HG3 :: 2.220 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 :: 121.286 Ave N Shift Values>> N :: 120.67(3.48) 1.M168 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.61 M 0.27 Q 0.07 E 0.03 C Shift Assignments>> C :: 176.856 CA :: 59.500 CB :: 33.700 CG :: 32.836 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 :: 8.723 HA :: 3.996 HB2 :: 2.262 HB3 :: 2.026 HG2 :: 2.743 HG3 :: 2.673 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 :: 118.622 Ave N Shift Values>> N :: 120.09(3.57) 1.A169 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.47 A 0.47 I 0.02 C 0.02 C Shift Assignments>> C :: 179.790 CA :: 54.800 CB :: 18.220 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.494 HA :: 4.156 HB1 :: 1.558 HB2 :: 1.558 HB3 :: 1.558 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.760 Ave N Shift Values>> N :: 123.23(3.54) 1.E170 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.39 C 0.35 I 0.08 K 0.07 Q 0.04 M 0.03 C Shift Assignments>> C :: 177.745 CA :: 58.000 CB :: 29.730 CG :: 36.308 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 :: 7.683 HA :: 4.091 HB2 :: 1.950 HG2 :: 2.149 HG3 :: 2.300 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 :: 116.970 Ave N Shift Values>> N :: 120.67(3.48) 1.H171 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.14 R 0.14 W 0.14 E 0.14 H 0.13 Q 0.09 K 0.08 M 0.07 V 0.02 C Shift Assignments>> C :: 175.848 CA :: 57.600 CB :: 30.800 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 :: 7.717 HA :: 4.470 HB2 :: 2.958 HB3 :: 2.863 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 :: 118.150 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.Y172 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.3 F 0.27 C 0.17 I 0.11 D 0.04 L 0.03 N 0.02 E 0.01 C Shift Assignments>> C :: 174.590 CA :: 57.813 CB :: 38.900 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 :: 7.778 HA :: 4.591 HB2 :: 3.247 HB3 :: 2.815 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 :: 119.483 Ave N Shift Values>> N :: 120.52(4.2) 1.A173 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.72 M 0.17 C 0.04 L 0.03 V 0.01 C Shift Assignments>> C :: 182.530 CA :: 54.380 CB :: 19.700 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.509 HA :: 4.090 HB1 :: 1.378 HB2 :: 1.378 HB3 :: 1.378 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 130.607 Ave N Shift Values>> N :: 123.23(3.54) ########################################################################### Overall Results: #Consistent: 146 #Clerical: 0 #Suspicious: 21 #Anomalous: 5 #Mistyped: 1 #Indeterminable: 0 Typing Results: #Consistent: 161 #Suspicious: 2 #Mistyped: 1 #Indeterminable: 9 Shift Relative Order (SRO) Results: #Consistent: 172 #Suspicious: 1 C Shift Results: #Consistent: 618 #Duplicate: 0 #Unknown: 0 #Suspicious: 3 #Anomalous: 2 H Shift Results: #Consistent: 906 #Duplicate: 0 #Unknown: 0 #Suspicious: 41 #Anomalous: 2 N Shift Results: #Consistent: 158 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 1 Error Summary: 1.G4 HA2 = 2.088(S), Expected = 3.97, Std = 0.3700, ChiSquare = 3.6476e-07 1.L5 HA = 6.322(A), Expected = 4.32, Std = 0.4700, ChiSquare = 2.0482e-05 1.K20 CD = 32.800(S), Expected = 28.96, Std = 1.0800, ChiSquare = 3.7718e-04 1.R22 NE = 112.600(A), Expected = 84.63, Std = 1.6800, ChiSquare = 3.0868e-62 1.H33 HB3 = 1.375(S), Expected = 3.04, Std = 0.3800, ChiSquare = 1.1782e-05 1.L35 HD11 = -0.940(S), Expected = 0.75, Std = 0.2800, ChiSquare = 1.5826e-09 1.L35 HD12 = -0.940(S), Expected = 0.75, Std = 0.2800, ChiSquare = 1.5826e-09 1.L35 HD13 = -0.940(S), Expected = 0.75, Std = 0.2800, ChiSquare = 1.5826e-09 1.L42 HD11 = 1.786(S), Expected = 0.75, Std = 0.2800, ChiSquare = 2.1560e-04 1.L42 HD12 = 1.786(S), Expected = 0.75, Std = 0.2800, ChiSquare = 2.1560e-04 1.L42 HD13 = 1.786(S), Expected = 0.75, Std = 0.2800, ChiSquare = 2.1560e-04 1.M43 HG2 = 0.821(S), Expected = 2.42, Std = 0.3500, ChiSquare = 4.9106e-06 1.L51 HA = 6.070(S), Expected = 4.32, Std = 0.4700, ChiSquare = 1.9655e-04 1.G52 HA3 = 2.368(S), Expected = 3.90, Std = 0.3700, ChiSquare = 3.4649e-05 1.E60 Typing: Mistyped 1.E60 CD = 174.380(S), Expected = 182.40, Std = 1.7800, ChiSquare = 6.6180e-06 1.E60 SRO Rule Break>> CD > C : 0.990654205607477 1.L84 H = 10.378(S), Expected = 8.23, Std = 0.6500, ChiSquare = 9.5107e-04 1.Q90 HB3 = 0.648(S), Expected = 2.02, Std = 0.2800, ChiSquare = 9.5837e-07 1.Q90 HE22 = 8.948(S), Expected = 7.02, Std = 0.4400, ChiSquare = 1.1769e-05 1.G94 CA = 49.880(S), Expected = 45.35, Std = 1.3400, ChiSquare = 7.2329e-04 1.E95 HB2 = 0.622(S), Expected = 2.02, Std = 0.2100, ChiSquare = 2.7920e-11 1.E95 HB3 = 0.660(S), Expected = 1.99, Std = 0.2300, ChiSquare = 7.3551e-09 1.L98 HG = -0.615(S), Expected = 1.51, Std = 0.3300, ChiSquare = 1.1995e-10 1.L104 HG = 0.237(S), Expected = 1.51, Std = 0.3300, ChiSquare = 1.1452e-04 1.K107 Typing: Suspicious 1.K107 CD = 40.780(A), Expected = 28.96, Std = 1.0800, ChiSquare = 7.0650e-28 1.V113 HG11 = -0.148(S), Expected = 0.83, Std = 0.2600, ChiSquare = 1.6887e-04 1.V113 HG12 = -0.148(S), Expected = 0.83, Std = 0.2600, ChiSquare = 1.6887e-04 1.V113 HG13 = -0.148(S), Expected = 0.83, Std = 0.2600, ChiSquare = 1.6887e-04 1.K114 HD3 = -0.137(S), Expected = 1.60, Std = 0.2200, ChiSquare = 2.8926e-15 1.P120 HD3 = 2.203(S), Expected = 3.61, Std = 0.3900, ChiSquare = 3.0893e-04 1.T121 HG21 = -0.190(S), Expected = 1.14, Std = 0.2300, ChiSquare = 7.3551e-09 1.T121 HG22 = -0.190(S), Expected = 1.14, Std = 0.2300, ChiSquare = 7.3551e-09 1.T121 HG23 = -0.190(S), Expected = 1.14, Std = 0.2300, ChiSquare = 7.3551e-09 1.K130 Typing: Suspicious 1.K130 CD = 41.980(A), Expected = 28.96, Std = 1.0800, ChiSquare = 1.8131e-33 1.K130 HD2 = 3.010(S), Expected = 1.61, Std = 0.2200, ChiSquare = 1.9703e-10 1.V140 HG21 = -0.217(S), Expected = 0.80, Std = 0.2800, ChiSquare = 2.8108e-04 1.V140 HG22 = -0.217(S), Expected = 0.80, Std = 0.2800, ChiSquare = 2.8108e-04 1.V140 HG23 = -0.217(S), Expected = 0.80, Std = 0.2800, ChiSquare = 2.8108e-04 1.L142 HB2 = 0.080(S), Expected = 1.61, Std = 0.3400, ChiSquare = 6.7953e-06 1.L142 HB3 = -1.635(A), Expected = 1.52, Std = 0.3600, ChiSquare = 1.8863e-18 1.L142 HD11 = -0.888(S), Expected = 0.75, Std = 0.2800, ChiSquare = 4.9157e-09 1.L142 HD12 = -0.888(S), Expected = 0.75, Std = 0.2800, ChiSquare = 4.9157e-09 1.L142 HD13 = -0.888(S), Expected = 0.75, Std = 0.2800, ChiSquare = 4.9157e-09 1.L142 HD21 = -0.261(S), Expected = 0.73, Std = 0.2900, ChiSquare = 6.3259e-04 1.L142 HD22 = -0.261(S), Expected = 0.73, Std = 0.2900, ChiSquare = 6.3259e-04 1.L142 HD23 = -0.261(S), Expected = 0.73, Std = 0.2900, ChiSquare = 6.3259e-04 1.A143 HB1 = 0.216(S), Expected = 1.35, Std = 0.2600, ChiSquare = 1.2915e-05 1.A143 HB2 = 0.216(S), Expected = 1.35, Std = 0.2600, ChiSquare = 1.2915e-05 1.A143 HB3 = 0.216(S), Expected = 1.35, Std = 0.2600, ChiSquare = 1.2915e-05 1.N148 HD22 = 10.000(S), Expected = 7.14, Std = 0.4900, ChiSquare = 5.3234e-09 1.N148 ND2 = 124.500(S), Expected = 112.75, Std = 2.2300, ChiSquare = 1.3713e-07