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 0.5 C 0.34 A 0.15 C Shift Assignments>> C :: 171.560 CA :: 55.300 CB :: 33.126 CG :: 31.200 CE :: 17.000 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 :: 4.250 HB2 :: 2.074 HG2 :: 2.450 HE1 :: 1.953 HE2 :: 1.953 HE3 :: 1.953 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 0.36 D 0.3 L 0.11 F 0.07 C 0.06 Y 0.06 C Shift Assignments>> C :: 174.590 CA :: 53.000 CB :: 39.970 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 :: 9.428 HA :: 5.208 HB2 :: 3.060 HD21 :: 6.821 HD22 :: 7.707 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 :: 123.320 ND2 :: 113.860 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>> A 0.4 M 0.3 C 0.29 HN Overlap>> 1.E66 1.E66 C Shift Assignments>> C :: 174.400 CA :: 54.643 CB :: 34.637 CG :: 32.900 CE :: 19.000 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 :: 8.751 HA :: 5.530 HB2 :: 2.227 HB3 :: 1.600 HG2 :: 2.250 HG3 :: 2.485 HE1 :: 1.970 HE2 :: 1.970 HE3 :: 1.970 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 :: 120.920 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>> R 0.4 L 0.28 D 0.07 K 0.05 F 0.05 G 0.03 Y 0.03 C 0.03 I 0.01 C Shift Assignments>> C :: 170.413 CA :: 43.102 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.927 HA2 :: 4.152 HA3 :: 2.074(S) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 115.542 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 0.4 L 0.39 C 0.17 R 0.01 C Shift Assignments>> C :: 175.952 CA :: 53.450 CB :: 44.592 CG :: 27.530 CD1 :: 24.700 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 :: 8.928 HA :: 6.402(A) HB2 :: 1.793 HB3 :: 1.168 HG :: 0.914 HD11 :: 1.178 HD12 :: 1.178 HD13 :: 1.178 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 :: 131.030 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>> F 0.58 Y 0.21 C 0.19 C Shift Assignments>> C :: 174.300 CA :: 55.320 CB :: 41.230 CE1 :: 130.276 CZ :: 130.350 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 :: 9.237 HA :: 5.740 HB2 :: 3.260 HB3 :: 2.345 HD1 :: 6.994 HE1 :: 6.820 HZ :: 6.575 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 :: 125.790 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>> Y 0.75 C 0.24 C Shift Assignments>> C :: 171.262 CA :: 55.400 CB :: 41.240 CD1 :: 132.714 CE1 :: 117.684 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 :: 8.125 HA :: 5.965 HB2 :: 2.862 HD1 :: 6.583 HE1 :: 6.530 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 :: 117.289 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 0.3 R 0.29 G 0.22 D 0.04 F 0.04 C 0.04 Y 0.02 C Shift Assignments>> C :: 172.000 CA :: 43.944 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.031 HA2 :: 4.559 HA3 :: 3.560 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.420 Ave N Shift Values>> N :: 109.67(3.87) 1.S9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.77 T 0.22 C Shift Assignments>> C :: 175.000 CA :: 57.570 CB :: 66.700 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.604 HA :: 5.200 HB2 :: 3.665 HB3 :: 3.845 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.S10 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Suspicious PRTL>> S 0.98 T 0.01 C Shift Assignments>> C :: 175.730 CA :: 61.750 CB :: 64.400 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 11.636(S) HA :: 4.775 HB2 :: 3.578 HB3 :: 3.456 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 :: 131.193(S) Ave N Shift Values>> N :: 116.28(3.52) 1.T11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.68 T 0.23 S 0.07 C Shift Assignments>> C :: 173.700 CA :: 60.700 CB :: 67.430 CG2 :: 23.800 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 9.550 HA :: 4.770 HB :: 4.993 HG21 :: 1.387 HG22 :: 1.387 HG23 :: 1.387 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 :: 115.848 Ave N Shift Values>> N :: 115.42(4.75) 1.C12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.5 I 0.36 C 0.1 HN Overlap>> 1.V140 1.V140 C Shift Assignments>> C :: 176.220 CA :: 63.600 CB :: 26.400 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.437 HA :: 4.070 HB2 :: 3.264 HB3 :: 3.180 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 :: 109.780 Ave N Shift Values>> N :: 120.17(4.64) 1.Y13 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.8 Y 0.16 F 0.02 C Shift Assignments>> C :: 180.880 CA :: 65.100 CB :: 36.835 CD2 :: 133.932 CE2 :: 118.496 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 :: 10.886(S) HA :: 4.103 HB2 :: 3.500 HB3 :: 2.793 HD2 :: 7.621 HE2 :: 6.990 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 :: 127.830 Ave N Shift Values>> N :: 120.52(4.2) 1.T14 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> T 0.97 C 0.02 C Shift Assignments>> C :: 177.760 CA :: 67.823 CB :: 68.040 CG2 :: 21.100 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 :: 11.405(S) HA :: 4.160 HB :: 3.855 HG21 :: 1.283 HG22 :: 1.283 HG23 :: 1.283 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 :: 124.428 Ave N Shift Values>> N :: 115.42(4.75) 1.E15 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.4 E 0.37 I 0.07 M 0.06 K 0.04 Q 0.04 C Shift Assignments>> C :: 176.392 CA :: 59.200 CB :: 30.450 CG :: 36.100 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 :: 6.885 HA :: 2.890(S) HB2 :: 1.777 HB3 :: 2.215 HG2 :: 1.900 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 :: 123.050 Ave N Shift Values>> N :: 120.67(3.48) 1.M16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 M 0.42 C Shift Assignments>> C :: 179.940 CA :: 59.240 CB :: 32.970 CG :: 32.460 CE :: 17.000 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 :: 8.469 HA :: 4.050 HB2 :: 2.016 HB3 :: 2.250 HG2 :: 2.507 HG3 :: 2.783 HE1 :: 1.923 HE2 :: 1.923 HE3 :: 1.923 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 :: 120.173 Ave N Shift Values>> N :: 120.09(3.57) 1.A17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.56 A 0.36 I 0.03 C 0.02 C Shift Assignments>> C :: 177.900 CA :: 55.200 CB :: 18.000 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.880 HA :: 3.836 HB1 :: 1.245 HB2 :: 1.245 HB3 :: 1.245 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.930 Ave N Shift Values>> N :: 123.23(3.54) 1.A18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.52 M 0.39 C 0.03 I 0.02 C Shift Assignments>> C :: 179.380 CA :: 55.000 CB :: 18.830 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.374 HA :: 3.737 HB1 :: 1.158 HB2 :: 1.158 HB3 :: 1.158 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.477 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 0.37 E 0.31 I 0.21 K 0.05 Q 0.02 C Shift Assignments>> C :: 178.479 CA :: 59.730 CB :: 29.300 CG :: 36.400 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 :: 7.628 HA :: 3.616 HB2 :: 1.980 HB3 :: 2.070 HG2 :: 2.420 HG3 :: 1.953 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 :: 116.650 Ave N Shift Values>> N :: 120.67(3.48) 1.K20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 K 0.32 R 0.2 G 0.01 C Shift Assignments>> C :: 179.116 CA :: 59.830 CB :: 32.850 CG :: 26.100 CD :: 29.640 CE :: 42.250 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 :: 7.376 HA :: 4.050 HB2 :: 1.980 HB3 :: 1.777 HG2 :: 1.655 HG3 :: 1.396 HD2 :: 1.680 HD3 :: 1.465 HE2 :: 2.840 HE3 :: 2.890 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 119.470 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: Consistent PRTL>> I 0.75 C 0.24 C Shift Assignments>> C :: 177.580 CA :: 65.820 CB :: 38.348 CG1 :: 31.186 CG2 :: 17.800 CD1 :: 13.560 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 :: 8.100 HA :: 3.390 HB :: 1.637 HG12 :: 1.505 HG13 :: 0.530 HG21 :: 0.870 HG22 :: 0.870 HG23 :: 0.870 HD11 :: -0.006 HD12 :: -0.006 HD13 :: -0.006 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 121.030 Ave N Shift Values>> N :: 121.46(4.28) 1.R22 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Anomalous PRTL>> C 0.46 R 0.33 G 0.11 K 0.05 L 0.03 C Shift Assignments>> C :: 177.320 CA :: 59.720 CB :: 28.932 CG :: 26.570 CD :: 43.600 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 :: 8.187 HA :: 3.555 HB2 :: 2.132 HB3 :: 1.558 HG2 :: 1.725 HG3 :: 1.380 HD2 :: 3.136 HD3 :: 3.176 HE :: 7.158 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 :: 119.720 NE :: 116.650(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 0.25 Y 0.23 D 0.14 L 0.12 C 0.11 I 0.04 K 0.03 N 0.03 HN Overlap>> 1.Q137 1.Q137 C Shift Assignments>> C :: 178.330 CA :: 56.950 CB :: 40.240 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 :: 7.950 HA :: 4.363 HB2 :: 2.795 HB3 :: 2.647 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 :: 118.730 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 0.79 C 0.2 C Shift Assignments>> C :: 178.250 CA :: 64.150 CB :: 38.480 CG1 :: 29.300 CG2 :: 18.800 CD1 :: 14.180 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 :: 7.910 HA :: 3.796 HB :: 1.995 HG12 :: 1.197 HG13 :: 1.688 HG21 :: 0.882 HG22 :: 0.882 HG23 :: 0.882 HD11 :: 0.805 HD12 :: 0.805 HD13 :: 0.805 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 :: 121.090 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 0.89 C 0.1 C Shift Assignments>> C :: 176.800 CA :: 65.700 CB :: 38.190 CG1 :: 29.250 CG2 :: 17.860 CD1 :: 13.390 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 :: 8.476 HA :: 3.646 HB :: 1.685 HG12 :: 1.926 HG13 :: 0.870 HG21 :: 0.920 HG22 :: 0.920 HG23 :: 0.920 HD11 :: 0.680 HD12 :: 0.680 HD13 :: 0.680 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 :: 121.406 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 0.42 L 0.26 R 0.17 C 0.04 F 0.03 D 0.03 Y 0.01 HN Overlap>> 1.G88 1.G88 C Shift Assignments>> C :: 173.710 CA :: 44.330 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.016 HA2 :: 4.420 HA3 :: 3.967 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.900 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 0.69 C 0.29 C Shift Assignments>> C :: 177.200 CA :: 64.686 CB :: 32.200 CG :: 27.820 CD :: 52.000 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 :: 4.338 HB2 :: 2.246 HB3 :: 2.060 HG2 :: 2.125 HG3 :: 2.050 HD2 :: 3.982 HD3 :: 3.946 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 0.37 C 0.35 I 0.13 K 0.08 Q 0.03 C Shift Assignments>> C :: 176.980 CA :: 57.740 CB :: 28.670 CG :: 36.530 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 :: 9.204 HA :: 4.270 HB2 :: 2.012 HB3 :: 2.113 HG2 :: 2.370 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 :: 116.295 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>> G 0.4 L 0.31 C 0.25 R 0.02 A 0.01 C Shift Assignments>> C :: 175.770 CA :: 55.800 CB :: 45.100 CG :: 27.650 CD1 :: 25.500 CD2 :: 23.360 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 :: 7.940 HA :: 4.636 HB2 :: 1.860 HB3 :: 1.592 HG :: 1.612 HD11 :: 0.950 HD12 :: 0.950 HD13 :: 0.950 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 :: 120.250 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>> C 0.53 V 0.46 C Shift Assignments>> C :: 174.347 CA :: 60.868 CB :: 34.580 CG1 :: 22.730 CG2 :: 22.410 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 :: 7.434 HA :: 4.648 HB :: 1.840 HG11 :: 0.656 HG12 :: 0.656 HG13 :: 0.656 HG21 :: 0.895 HG22 :: 0.895 HG23 :: 0.895 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 :: 118.693 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 HN Overlap>> 1.L165 1.L165 C Shift Assignments>> C :: 172.964 CA :: 61.720 CB :: 70.485 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 :: 7.844 HA :: 4.362 HB :: 3.934 HG21 :: 0.893 HG22 :: 0.893 HG23 :: 0.893 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 123.800 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 0.34 R 0.33 G 0.16 L 0.08 K 0.07 C Shift Assignments>> C :: 176.600 CA :: 55.155 CB :: 43.850 CG :: 29.420 CD1 :: 25.750 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 :: 8.660 HA :: 4.684 HB2 :: 1.720 HB3 :: 1.563 HG :: 1.680 HD11 :: 0.780 HD12 :: 0.780 HD13 :: 0.780 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 :: 127.800 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>> C 0.43 W 0.32 H 0.23 C Shift Assignments>> C :: 171.667 CA :: 55.200 CB :: 32.200 CD2 :: 125.400 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 :: 9.060 HA :: 4.400 HB2 :: 2.050 HB3 :: 1.435(S) HD2 :: 5.480(S) HE1 :: 6.570 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 :: 119.670 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.N34 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> N 0.67 D 0.12 C 0.09 F 0.03 Y 0.03 L 0.02 C Shift Assignments>> C :: 178.000 CA :: 51.429 CB :: 38.560 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 :: 8.780 HA :: 3.434(S) HB2 :: 3.060 HB3 :: 2.512 HD21 :: 7.433 HD22 :: 7.683 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 :: 124.068 ND2 :: 113.340 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 0.59 C 0.37 G 0.01 A 0.01 C Shift Assignments>> C :: 177.700 CA :: 56.480 CB :: 42.300 CG :: 26.950 CD1 :: 23.050 CD2 :: 23.175 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 :: 8.821 HA :: 4.315 HB2 :: 1.008 HB3 :: 0.887 HG :: 1.124 HD11 :: 0.575 HD12 :: 0.575 HD13 :: 0.575 HD21 :: -0.977(S) HD22 :: -0.977(S) HD23 :: -0.977(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 :: 129.040 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 0.48 K 0.47 R 0.03 C Shift Assignments>> C :: 176.230 CA :: 59.420 CB :: 33.270 CG :: 24.450 CD :: 29.300 CE :: 41.780 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 :: 3.880 HB2 :: 1.310 HB3 :: 1.492 HG2 :: 1.336 HG3 :: 1.300 HD2 :: 1.682 HE2 :: 3.033 HE3 :: 2.985 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 :: 121.043 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 0.45 L 0.29 R 0.1 C 0.05 D 0.04 F 0.02 Y 0.01 C Shift Assignments>> C :: 175.440 CA :: 54.711 CB :: 44.700 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 :: 7.228 HA :: 4.777 HB2 :: 2.700 HB3 :: 2.362 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 :: 114.965 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 0.27 K 0.11 R 0.07 N 0.07 F 0.05 C 0.04 Y 0.03 C Shift Assignments>> C :: 174.852 CA :: 53.080 CB :: 42.110 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 :: 8.184 HA :: 4.870 HB2 :: 2.390 HB3 :: 2.215 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 :: 121.650 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 :: 175.040 CA :: 54.960 CB :: 64.720 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.351 HA :: 4.585 HB2 :: 4.145 HB3 :: 3.670 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 :: 115.207 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 :: 176.730 CA :: 63.900 CB :: 31.400 CG :: 27.200 CD :: 50.460 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 :: 4.005 HB2 :: 1.852 HB3 :: 1.787 HG2 :: 1.786 HG3 :: 1.893 HD2 :: 4.107 HD3 :: 3.766 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 0.4 K 0.4 R 0.17 C Shift Assignments>> C :: 179.600 CA :: 58.200 CB :: 32.000 CG :: 24.850 CD :: 28.824 CE :: 42.250 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 :: 8.255 HA :: 3.912 HB2 :: 1.756 HG2 :: 1.393 HD2 :: 1.513 HD3 :: 1.640 HE2 :: 2.915 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 :: 121.150 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.47 C 0.4 R 0.09 A 0.01 HN Overlap>> 1.E162 1.E162 C Shift Assignments>> C :: 178.760 CA :: 57.180 CB :: 41.973 CG :: 27.460 CD1 :: 25.700 CD2 :: 22.300 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 :: 7.600 HA :: 4.037 HB2 :: 1.887 HB3 :: 1.430 HG :: 1.793 HD11 :: 0.832 HD12 :: 0.832 HD13 :: 0.832 HD21 :: 0.828 HD22 :: 0.828 HD23 :: 0.828 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 :: 118.103 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 0.67 M 0.31 HN Overlap>> 1.D145 1.D145 C Shift Assignments>> C :: 177.680 CA :: 59.730 CB :: 32.700 CG :: 32.720 CE :: 18.550 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 :: 8.202 HA :: 3.750 HB2 :: 1.674 HB3 :: 0.787(S) HE1 :: 1.596 HE2 :: 1.596 HE3 :: 1.596 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 :: 118.917 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 0.47 I 0.32 E 0.17 K 0.01 C Shift Assignments>> C :: 178.130 CA :: 59.400 CB :: 29.550 CG :: 38.000 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 :: 7.218 HA :: 3.740 HB2 :: 2.226 HB3 :: 2.027 HG2 :: 2.319 HG3 :: 2.410 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 :: 110.924 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 0.1 M 0.05 E 0.02 HN Overlap>> 1.D73 1.D73 C Shift Assignments>> C :: 175.414 CA :: 56.180 CB :: 28.600 CG :: 33.220 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 :: 7.516 HA :: 4.183 HB2 :: 1.845 HB3 :: 1.800 HG2 :: 2.341 HE21 :: 6.887 HE22 :: 7.055 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 :: 115.756 NE2 :: 111.670 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>> Y 0.51 C 0.48 C Shift Assignments>> C :: 175.500 CA :: 58.486 CB :: 41.470 CD1 :: 133.932 CE1 :: 119.800 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 :: 6.996 HA :: 4.663 HB2 :: 3.434 HB3 :: 2.720 HD1 :: 7.090 HE1 :: 6.880 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 :: 117.860 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 0.3 L 0.25 K 0.12 F 0.09 D 0.07 Y 0.06 C 0.05 G 0.02 C Shift Assignments>> C :: 175.610 CA :: 56.700 CB :: 43.000 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 :: 8.808 HA :: 4.700 HB2 :: 2.988 HB3 :: 2.891 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 :: 121.683 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 0.65 V 0.34 C Shift Assignments>> C :: 174.190 CA :: 60.190 CB :: 36.100 CG1 :: 21.650 CG2 :: 20.890 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 :: 7.628 HA :: 5.034 HB :: 1.883 HG11 :: 1.086 HG12 :: 1.086 HG13 :: 1.086 HG21 :: 0.874 HG22 :: 0.874 HG23 :: 0.874 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 :: 118.628 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 0.71 L 0.19 C 0.08 C Shift Assignments>> C :: 174.880 CA :: 52.240 CB :: 45.340 CG :: 26.530 CD1 :: 25.050 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 :: 9.407 HA :: 5.603 HB2 :: 1.996 HB3 :: 1.376 HG :: 0.902 HD11 :: 1.254 HD12 :: 1.254 HD13 :: 1.254 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 :: 128.190 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 :: 175.300 CA :: 59.864 CB :: 40.250 CG1 :: 27.405 CG2 :: 17.970 CD1 :: 14.692 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 :: 9.238 HA :: 5.700 HB :: 1.716 HG12 :: 1.603 HG13 :: 0.940 HG21 :: 1.320 HG22 :: 1.320 HG23 :: 1.320 HD11 :: 0.752 HD12 :: 0.752 HD13 :: 0.752 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 :: 124.550 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 0.33 G 0.28 C 0.23 R 0.14 C Shift Assignments>> C :: 174.544 CA :: 52.820 CB :: 43.637 CG :: 26.580 CD1 :: 26.800 CD2 :: 26.900 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 :: 9.228 HA :: 6.185(S) HB2 :: 1.576 HB3 :: 2.200 HG :: 1.398 HD11 :: 0.948 HD12 :: 0.948 HD13 :: 0.948 HD21 :: 1.875(S) HD22 :: 1.875(S) HD23 :: 1.875(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 :: 127.460 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>> R 0.31 L 0.3 G 0.2 D 0.04 F 0.04 C 0.04 Y 0.02 K 0.01 C Shift Assignments>> C :: 174.710 CA :: 43.870 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.860 HA2 :: 4.090 HA3 :: 2.304(S) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.760 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>> C 0.63 G 0.33 A 0.01 C Shift Assignments>> C :: 172.630 CA :: 56.680 CB :: 44.160 CG1 :: 28.380 CG2 :: 14.850 CD1 :: 14.160 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 :: 8.458 HA :: 5.270 HB :: 0.940 HG12 :: 1.260 HG13 :: 0.855 HG21 :: 0.099 HG22 :: 0.099 HG23 :: 0.099 HD11 :: 0.547 HD12 :: 0.547 HD13 :: 0.547 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 123.890 Ave N Shift Values>> N :: 121.46(4.28) 1.P54 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> C 0.65 P 0.33 C Shift Assignments>> C :: 175.000 CA :: 61.600 CB :: 32.300 CG :: 27.460 CD :: 52.100 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 5.388 HB2 :: 2.520 HB3 :: 1.860 HG2 :: 3.380(S) HD2 :: 3.817 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 0.88 C 0.11 C Shift Assignments>> C :: 172.480 CA :: 62.350 CB :: 70.230 CG2 :: 22.300 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 6.523 HA :: 4.452 HB :: 3.677 HG21 :: 1.445 HG22 :: 1.445 HG23 :: 1.445 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 :: 112.754 Ave N Shift Values>> N :: 115.42(4.75) 1.W56 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> C 0.98 W 0.01 C Shift Assignments>> C :: 172.890 CA :: 56.650 CB :: 33.000 CD1 :: 121.340 CZ2 :: 116.800 CZ3 :: 122.150 CH2 :: 124.930 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 :: 8.450 HA :: 2.715(S) HB2 :: 2.894 HB3 :: 1.996 HD1 :: 6.348 HE3 :: 11.362(A) HZ2 :: 8.252 HZ3 :: 6.995 HH2 :: 7.312 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 :: 130.044 NE1 :: 131.044 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) SRO Rule Breaks>> (HA > HB2 : 0.9942) 1.D57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.22 Y 0.2 D 0.19 L 0.14 C 0.1 N 0.07 K 0.03 I 0.02 C Shift Assignments>> C :: 173.660 CA :: 56.230 CB :: 40.170 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 :: 6.910 HA :: 4.352 HB2 :: 2.760 HB3 :: 2.550 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 :: 115.275 Ave N Shift Values>> N :: 120.65(3.86) 1.F58 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.62 Y 0.19 F 0.11 W 0.05 C Shift Assignments>> C :: 175.730 CA :: 58.823 CB :: 34.754 CD2 :: 131.900 CE2 :: 131.900 CZ :: 129.460 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 :: 7.640 HA :: 3.324 HB2 :: 3.168 HB3 :: 1.545(S) HD2 :: 6.130 HE2 :: 7.334 HZ :: 7.338 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 :: 112.840 Ave N Shift Values>> N :: 120.45(4.18) 1.G59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.06 C 0.03 C Shift Assignments>> C :: 173.750 CA :: 46.290 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.024 HA2 :: 4.612 HA3 :: 3.635 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 104.940 Ave N Shift Values>> N :: 109.67(3.87) 1.E60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.28 C 0.26 M 0.21 Q 0.15 K 0.06 HN Overlap>> 1.Q158 1.Q158 C Shift Assignments>> C :: 176.050 CA :: 54.620 CB :: 30.610 CG :: 35.400 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 :: 8.396 HA :: 4.413 HB2 :: 1.932 HB3 :: 1.720 HG2 :: 2.430 HG3 :: 2.190 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 :: 120.045 Ave N Shift Values>> N :: 120.67(3.48) 1.I61 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.64 C 0.35 HN Overlap>> 1.Q163 1.Q163 C Shift Assignments>> C :: 175.130 CA :: 61.547 CB :: 38.850 CG1 :: 28.100 CG2 :: 19.060 CD1 :: 12.280 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 :: 8.200 HA :: 3.467 HB :: 1.310 HG12 :: 1.085 HG13 :: 0.462 HG21 :: 0.670 HG22 :: 0.670 HG23 :: 0.670 HD11 :: -0.380(S) HD12 :: -0.380(S) HD13 :: -0.380(S) 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 :: 120.790 Ave N Shift Values>> N :: 121.46(4.28) 1.Q62 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.31 R 0.22 K 0.21 Q 0.19 M 0.03 C Shift Assignments>> C :: 177.160 CA :: 57.610 CB :: 27.650 CG :: 32.672 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 :: 5.667(S) HA :: 3.956 HB2 :: 2.657 HB3 :: 2.306 HG2 :: 2.520 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 124.520 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.E63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 E 0.19 Q 0.11 K 0.09 I 0.08 M 0.04 C Shift Assignments>> C :: 177.300 CA :: 60.720 CB :: 30.120 CG :: 34.880 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 :: 8.826 HA :: 3.986 HB2 :: 1.807 HB3 :: 1.987 HG2 :: 2.030 HG3 :: 1.998 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 :: 124.570 Ave N Shift Values>> N :: 120.67(3.48) 1.D64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.26 Y 0.21 K 0.13 L 0.12 C 0.1 D 0.07 I 0.05 R 0.01 HN Overlap>> 1.A67 1.A67 C Shift Assignments>> C :: 179.180 CA :: 57.950 CB :: 40.950 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 :: 7.650 HA :: 4.620 HB2 :: 2.780 HB3 :: 2.130 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 :: 119.060 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>> W 0.53 C 0.46 C Shift Assignments>> C :: 178.970 CA :: 60.820 CB :: 30.400 CD1 :: 124.590 CE3 :: 120.000 CZ2 :: 114.100 CZ3 :: 121.850 CH2 :: 124.590 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 :: 7.350 HA :: 4.340 HB2 :: 3.442 HB3 :: 3.325 HD1 :: 7.367 HE1 :: 10.600 HE3 :: 7.640 HZ2 :: 7.340 HZ3 :: 6.780 HH2 :: 7.008 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 :: 121.070 NE1 :: 128.170 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 0.37 E 0.24 I 0.17 K 0.11 Q 0.08 HN Overlap>> 1.M3 1.M3 C Shift Assignments>> C :: 178.750 CA :: 60.000 CB :: 28.860 CG :: 35.500 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 :: 8.720 HA :: 3.840 HB2 :: 2.068 HB3 :: 1.683 HG2 :: 2.174 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 :: 120.900 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 0.6 M 0.33 C 0.03 I 0.01 HN Overlap>> 1.F126 1.D64 1.F126 1.D64 C Shift Assignments>> C :: 179.410 CA :: 54.580 CB :: 18.810 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.640 HA :: 4.253 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 :: 119.130 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 0.8 V 0.18 HN Overlap>> 1.T127 1.T127 C Shift Assignments>> C :: 176.750 CA :: 59.610 CB :: 32.620 CG1 :: 18.520 CG2 :: 21.140 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 :: 7.219 HA :: 4.810 HB :: 2.464 HG11 :: 0.997 HG12 :: 0.997 HG13 :: 0.997 HG21 :: 0.970 HG22 :: 0.970 HG23 :: 0.970 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 :: 106.845 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>> W 0.55 C 0.44 C Shift Assignments>> C :: 178.670 CA :: 61.220 CB :: 31.630 CD1 :: 127.000 CE3 :: 121.340 CZ2 :: 114.028 CZ3 :: 121.300 CH2 :: 123.780 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 :: 7.832 HA :: 4.238 HB2 :: 3.823 HB3 :: 3.349 HD1 :: 7.300 HE1 :: 10.273 HE3 :: 7.750 HZ2 :: 7.139 HZ3 :: 6.596 HH2 :: 6.510 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 :: 127.630 NE1 :: 128.420 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 :: 178.670 CA :: 56.000 CB :: 39.850 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 :: 8.730 HA :: 4.522 HB2 :: 2.790 HB3 :: 2.730 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 :: 114.544 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 0.23 E 0.16 M 0.02 R 0.02 I 0.02 C Shift Assignments>> C :: 178.910 CA :: 57.610 CB :: 29.100 CG :: 34.490 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 :: 7.995 HA :: 4.184 HB2 :: 2.130 HG2 :: 2.500 HG3 :: 2.383 HE21 :: 6.943 HE22 :: 7.856 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 :: 120.040 NE2 :: 112.340 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>> L 0.56 C 0.39 R 0.02 A 0.01 HN Overlap>> 1.Q149 1.Q149 C Shift Assignments>> C :: 178.650 CA :: 57.200 CB :: 41.410 CG :: 26.600 CD1 :: 25.710 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 :: 7.450 HA :: 3.813 HB2 :: 1.585 HB3 :: 0.937 HG :: 1.970 HD11 :: 0.433 HD12 :: 0.433 HD13 :: 0.433 HD21 :: 0.668 HD22 :: 0.668 HD23 :: 0.668 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 :: 117.400 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 K 0.02 N 0.02 HN Overlap>> 1.Q45 1.Q45 C Shift Assignments>> C :: 177.560 CA :: 57.400 CB :: 40.100 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 :: 7.499 HA :: 4.168 HB2 :: 2.652 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 :: 115.750 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 0.27 L 0.25 K 0.16 F 0.08 Y 0.05 N 0.05 C 0.05 R 0.04 C Shift Assignments>> C :: 176.388 CA :: 54.500 CB :: 41.700 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 :: 7.380 HA :: 4.703 HB2 :: 2.818 HB3 :: 2.506 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 :: 117.223 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 0.39 C 0.31 L 0.13 G 0.09 A 0.05 C Shift Assignments>> C :: 176.820 CA :: 54.400 CB :: 43.280 CG :: 26.000 CD1 :: 28.700 CD2 :: 23.000 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 :: 6.960 HA :: 4.285 HB2 :: 1.658 HB3 :: 1.053 HG :: 1.970 HD11 :: 0.783 HD12 :: 0.783 HD13 :: 0.783 HD21 :: 0.694 HD22 :: 0.694 HD23 :: 0.694 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 :: 118.316 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 0.65 C 0.13 D 0.05 Y 0.04 F 0.03 M 0.02 E 0.02 L 0.01 C Shift Assignments>> C :: 174.950 CA :: 52.050 CB :: 37.500 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 :: 9.890 HA :: 4.890 HB2 :: 2.934 HB3 :: 2.700 HD21 :: 6.854 HD22 :: 7.581 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 :: 123.045 ND2 :: 111.800 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>> A 0.44 L 0.24 C 0.18 G 0.13 C Shift Assignments>> C :: 175.040 CA :: 52.250 CB :: 42.900 CG :: 25.200 CD1 :: 22.070 CD2 :: 22.150 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 :: 8.730 HA :: 4.370 HB2 :: 1.460 HB3 :: 1.256 HG :: 0.602 HD11 :: 0.533 HD12 :: 0.533 HD13 :: 0.533 HD21 :: 0.622 HD22 :: 0.622 HD23 :: 0.622 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 :: 123.494 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 0.35 C 0.34 I 0.11 K 0.09 Q 0.06 M 0.02 C Shift Assignments>> C :: 178.660 CA :: 58.760 CB :: 29.400 CG :: 36.000 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 :: 7.682 HA :: 3.900 HB2 :: 2.009 HB3 :: 2.070 HG2 :: 2.325 HG3 :: 2.373 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 :: 120.870 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 :: 174.460 CA :: 45.430 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.474 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 :: 113.240 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 0.43 R 0.36 K 0.11 G 0.08 C Shift Assignments>> C :: 175.360 CA :: 56.970 CB :: 33.200 CG :: 26.680 CD :: 28.500 CE :: 43.540 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 :: 7.805 HA :: 4.358 HB2 :: 1.686 HB3 :: 1.590 HG2 :: 1.517 HG3 :: 1.250 HD2 :: 1.500 HD3 :: 1.910 HE2 :: 3.400 HE3 :: 3.090 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 :: 120.295 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 0.46 C Shift Assignments>> C :: 174.760 CA :: 59.830 CB :: 38.700 CG1 :: 28.400 CG2 :: 19.311 CD1 :: 13.390 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 :: 7.400 HA :: 4.793 HB :: 1.892 HG12 :: 1.635 HG13 :: 0.963 HG21 :: 0.845 HG22 :: 0.845 HG23 :: 0.845 HD11 :: 0.708 HD12 :: 0.708 HD13 :: 0.708 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 :: 122.400 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 :: 172.724 CA :: 60.410 CB :: 35.400 CG1 :: 22.050 CG2 :: 23.000 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 :: 8.790 HA :: 5.262 HB :: 1.480 HG11 :: 0.732 HG12 :: 0.732 HG13 :: 0.732 HG21 :: 1.015 HG22 :: 1.015 HG23 :: 1.015 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 :: 127.840 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 0.42 A 0.23 C 0.22 P 0.04 K 0.04 G 0.01 C Shift Assignments>> C :: 175.750 CA :: 49.870 CB :: 23.450 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.300 HA :: 5.382 HB1 :: 1.360 HB2 :: 1.360 HB3 :: 1.360 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 131.347 Ave N Shift Values>> N :: 123.23(3.54) 1.L84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.57 L 0.23 C 0.17 R 0.02 C Shift Assignments>> C :: 175.760 CA :: 53.500 CB :: 44.900 CG :: 26.680 CD1 :: 26.510 CD2 :: 26.400 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 :: 10.287 HA :: 5.520 HB2 :: 2.110 HB3 :: 1.310 HG :: 2.285 HD11 :: 0.940 HD12 :: 0.940 HD13 :: 0.940 HD21 :: 0.970 HD22 :: 0.970 HD23 :: 0.970 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 :: 124.200 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>> Y 0.56 C 0.29 G 0.14 C Shift Assignments>> C :: 172.372 CA :: 56.100 CB :: 43.030 CD1 :: 133.330 CE1 :: 116.860 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 :: 9.257 HA :: 4.960 HB2 :: 2.060 HD1 :: 6.780 HE1 :: 6.402 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 :: 115.912 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 0.44 L 0.26 R 0.16 C 0.04 F 0.03 D 0.02 Y 0.01 C Shift Assignments>> C :: 170.330 CA :: 44.370 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.027 HA2 :: 5.032 HA3 :: 3.050 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.800 Ave N Shift Values>> N :: 109.67(3.87) 1.L87 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.68 C 0.25 R 0.05 C Shift Assignments>> C :: 178.100 CA :: 53.590 CB :: 45.340 CG :: 31.654(S) CD1 :: 27.134 CD2 :: 24.387 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 6.580 HA :: 5.465 HB2 :: 1.963 HB3 :: 1.310 HG :: 1.945 HD11 :: 0.985 HD12 :: 0.985 HD13 :: 0.985 HD21 :: 1.002 HD22 :: 1.002 HD23 :: 1.002 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 :: 123.458 Ave N Shift Values>> N :: 121.86(3.9) 1.G88 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.88 L 0.05 C 0.04 HN Overlap>> 1.G26 1.G26 C Shift Assignments>> C :: 172.820 CA :: 46.660 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.070 HA2 :: 5.310(S) HA3 :: 4.418 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.966 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 0.29 L 0.29 R 0.11 K 0.08 N 0.06 C 0.04 F 0.04 G 0.02 Y 0.02 C Shift Assignments>> C :: 176.220 CA :: 52.470 CB :: 42.480 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 :: 8.416 HA :: 5.246 HB2 :: 3.010 HB3 :: 2.690 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 :: 121.150 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 0.26 K 0.24 R 0.07 E 0.05 I 0.02 M 0.01 C Shift Assignments>> C :: 173.646 CA :: 58.310 CB :: 28.210 CG :: 33.880 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 :: 8.623 HA :: 3.488 HB2 :: 2.464 HB3 :: 0.299(S) HG2 :: 1.991 HG3 :: 2.254 HE21 :: 9.014(S) HE22 :: 6.106 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 :: 123.970 NE2 :: 109.960 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 0.58 C 0.35 A 0.03 R 0.01 C Shift Assignments>> C :: 180.160 CA :: 56.060 CB :: 41.550 CG :: 27.526 CD1 :: 24.736 CD2 :: 22.633 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 :: 7.046 HA :: 4.375 HB2 :: 1.611 HB3 :: 1.475 HG :: 1.430 HD11 :: 0.852 HD12 :: 0.852 HD13 :: 0.852 HD21 :: 0.790 HD22 :: 0.790 HD23 :: 0.790 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 118.017 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 0.03 C Shift Assignments>> C :: 174.912 CA :: 46.180 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.238 HA2 :: 3.677 HA3 :: 3.121 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.028 Ave N Shift Values>> N :: 109.67(3.87) 1.Y93 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> Y 0.49 C 0.49 C Shift Assignments>> C :: 176.850 CA :: 56.730 CB :: 38.130 CD1 :: 132.628 CE1 :: 119.715 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 :: 6.962 HA :: 5.009 HB2 :: 3.310 HB3 :: 2.668 HD1 :: 6.360 HE1 :: 7.460(S) 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 :: 115.910 Ave N Shift Values>> N :: 120.52(4.2) 1.G94 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.75 A 0.11 N 0.06 D 0.02 C 0.01 C Shift Assignments>> C :: 177.777 CA :: 50.030(S) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.835 HA2 :: 4.307 HA3 :: 4.000 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.630 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 0.41 E 0.26 I 0.18 K 0.06 Q 0.04 R 0.01 C Shift Assignments>> C :: 175.300 CA :: 58.100 CB :: 27.511 CG :: 36.240 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 :: 8.570 HA :: 3.918 HB2 :: 0.450(S) HB3 :: 0.375(S) HG2 :: 1.457(S) HG3 :: 1.643 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 122.450 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>> C 0.42 H 0.29 W 0.27 C Shift Assignments>> C :: 179.280 CA :: 57.015 CB :: 30.020 CD1 :: 128.300 CE3 :: 119.600 CZ2 :: 115.850 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 :: 5.444 HB2 :: 3.681 HB3 :: 3.263 HD1 :: 7.346 HE1 :: 10.096 HE3 :: 7.473 HZ2 :: 7.525 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 :: 118.790 NE1 :: 130.132 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>> Y 0.43 F 0.37 C 0.19 C Shift Assignments>> C :: 173.227 CA :: 56.720 CB :: 39.940 CD1 :: 133.000 CE1 :: 131.500 CZ :: 128.600 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 :: 7.165 HA :: 5.305 HB2 :: 3.420 HB3 :: 3.056 HD1 :: 6.354 HE1 :: 6.590 HZ :: 6.835 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 128.067 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: Consistent PRTL>> C 0.52 L 0.43 A 0.03 C Shift Assignments>> C :: 179.365 CA :: 55.460 CB :: 38.230 CG :: 27.253 CD1 :: 24.350 CD2 :: 23.300 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 :: 7.453 HA :: 3.490 HB2 :: 1.325 HB3 :: 1.080 HG :: -0.575(S) HD11 :: -1.063(S) HD12 :: -1.063(S) HD13 :: -1.063(S) HD21 :: -0.113 HD22 :: -0.113 HD23 :: -0.113 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 114.306 Ave N Shift Values>> N :: 121.86(3.9) 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 0.15 C 0.13 L 0.05 K 0.04 D 0.02 C Shift Assignments>> C :: 178.800 CA :: 59.180 CB :: 40.430 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 :: 7.768 HA :: 3.933 HB2 :: 2.616 HB3 :: 2.433 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 122.354 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 0.63 M 0.22 C 0.06 L 0.03 V 0.01 I 0.01 HN Overlap>> 1.M168 1.M168 C Shift Assignments>> C :: 178.500 CA :: 54.916 CB :: 19.660 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.682 HA :: 3.840 HB1 :: 1.106 HB2 :: 1.106 HB3 :: 1.106 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 118.568 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 0.52 C 0.42 R 0.03 G 0.02 C Shift Assignments>> C :: 178.930 CA :: 57.700 CB :: 42.400 CG :: 25.640 CD1 :: 25.700 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 :: 6.637 HA :: 3.680 HB2 :: 2.090 HB3 :: 0.996 HG :: 1.152 HD11 :: 0.510 HD12 :: 0.510 HD13 :: 0.510 HD21 :: 0.340 HD22 :: 0.340 HD23 :: 0.340 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 :: 118.815 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 0.5 P 0.2 C 0.1 A 0.1 N 0.03 L 0.02 D 0.01 C Shift Assignments>> C :: 175.530 CA :: 48.000 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.330 HA2 :: 3.587 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 103.700 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 0.59 M 0.4 C Shift Assignments>> C :: 179.688 CA :: 59.615 CB :: 33.290 CG :: 32.400 CE :: 17.280 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>> H :: 8.407 HA :: 4.254 HB2 :: 2.242 HB3 :: 2.062 HG2 :: 2.725 HE1 :: 2.026 HE2 :: 2.026 HE3 :: 2.026 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 :: 120.330 Ave N Shift Values>> N :: 120.09(3.57) 1.L104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.67 L 0.24 R 0.06 C Shift Assignments>> C :: 177.620 CA :: 57.970 CB :: 41.300 CG :: 26.810 CD1 :: 22.360 CD2 :: 27.050 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 :: 8.330 HA :: 4.196 HB2 :: 1.332 HB3 :: 1.905 HG :: 1.312 HD11 :: 0.392 HD12 :: 0.392 HD13 :: 0.392 HD21 :: 0.206 HD22 :: 0.206 HD23 :: 0.206 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 :: 123.450 Ave N Shift Values>> N :: 121.86(3.9) 1.H105 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.53 W 0.45 C Shift Assignments>> C :: 177.100 CA :: 60.970 CB :: 28.593 CD2 :: 123.700 CE1 :: 130.680(S) 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 :: 8.050 HA :: 3.877 HB2 :: 2.834 HB3 :: 3.340 HD2 :: 5.960 HE1 :: 6.207(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 :: 119.040 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 0.28 Y 0.25 C 0.12 L 0.1 D 0.08 I 0.07 K 0.05 N 0.01 HN Overlap>> 1.Y118 1.Y118 C Shift Assignments>> C :: 179.300 CA :: 57.810 CB :: 40.400 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 :: 8.636 HA :: 4.330 HB2 :: 2.900 HB3 :: 2.823 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 :: 119.950 Ave N Shift Values>> N :: 120.65(3.86) 1.K107 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.49 K 0.4 R 0.1 C Shift Assignments>> C :: 178.100 CA :: 58.200 CB :: 32.360 CG :: 23.500 CD :: 28.580 CE :: 41.550 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 :: 8.096 HA :: 4.133 HB2 :: 1.934 HB3 :: 1.810 HG2 :: 0.966 HG3 :: 0.580 HD2 :: 1.364 HD3 :: 1.280 HE2 :: 2.206(S) HE3 :: 1.943(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 :: 122.060 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>> C 0.44 R 0.24 L 0.19 A 0.09 G 0.01 C Shift Assignments>> C :: 178.866 CA :: 55.954 CB :: 42.160 CG :: 27.250 CD1 :: 21.763 CD2 :: 27.100 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 :: 7.828 HA :: 4.068 HB2 :: 1.918 HB3 :: 1.465 HG :: 1.760 HD11 :: 0.557 HD12 :: 0.557 HD13 :: 0.557 HD21 :: 0.780 HD22 :: 0.780 HD23 :: 0.780 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 :: 115.610 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 :: 175.660 CA :: 62.350 CB :: 62.815 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.278 HA :: 4.299 HB2 :: 4.117 HB3 :: 4.048 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 :: 116.362 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 0.1 C Shift Assignments>> C :: 175.990 CA :: 62.090 CB :: 68.800 CG2 :: 21.752 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 :: 7.211 HA :: 4.615 HB :: 4.595 HG21 :: 1.322 HG22 :: 1.322 HG23 :: 1.322 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 :: 110.230 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 0.68 K 0.2 R 0.08 A 0.01 C Shift Assignments>> C :: 176.916 CA :: 55.654 CB :: 30.843 CG :: 23.700 CD :: 27.320 CE :: 40.700 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 :: 7.682 HA :: 4.512 HB2 :: 2.160 HB3 :: 1.816 HG2 :: 1.526 HD2 :: 1.743 HD3 :: 1.563 HE2 :: 3.102 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 119.900 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 0.86 C 0.06 L 0.04 C Shift Assignments>> C :: 176.250 CA :: 47.040 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.366 HA2 :: 4.041 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 :: 107.910 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 0.92 V 0.06 C Shift Assignments>> C :: 174.630 CA :: 59.450 CB :: 32.550 CG1 :: 17.840 CG2 :: 22.180 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 :: 6.903 HA :: 4.474 HB :: 1.765 HG11 :: -0.151(S) HG12 :: -0.151(S) HG13 :: -0.151(S) HG21 :: 0.621 HG22 :: 0.621 HG23 :: 0.621 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 :: 113.530 Ave N Shift Values>> N :: 121.14(4.54) 1.K114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.57 C 0.31 R 0.09 G 0.01 C Shift Assignments>> C :: 175.000 CA :: 54.200 CB :: 33.340 CG :: 24.720 CD :: 29.140 CE :: 42.300 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 :: 8.503 HA :: 4.505 HB2 :: 1.480 HG2 :: 1.061 HG3 :: 1.148 HD2 :: 1.463 HE2 :: 2.840 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 :: 123.020 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>> Y 0.44 F 0.38 C 0.17 C Shift Assignments>> C :: 177.605 CA :: 58.610 CB :: 41.000 CD1 :: 132.714 CE1 :: 129.930 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 :: 8.494 HA :: 5.713 HB2 :: 3.141 HB3 :: 2.912 HD1 :: 7.524 HE1 :: 6.933 HZ :: 6.875 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 :: 123.290 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 0.82 V 0.15 A 0.01 C Shift Assignments>> C :: 175.414 CA :: 58.986 CB :: 34.100 CG1 :: 22.520 CG2 :: 18.300 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 :: 8.889 HA :: 4.492 HB :: 2.371 HG11 :: 0.735 HG12 :: 0.735 HG13 :: 0.735 HG21 :: 0.581 HG22 :: 0.581 HG23 :: 0.581 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 :: 115.790 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 0.65 P 0.1 C 0.1 A 0.06 L 0.03 N 0.02 C Shift Assignments>> C :: 176.180 CA :: 47.800 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.810 HA2 :: 4.293 HA3 :: 3.692 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.300 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>> C 0.52 Y 0.22 F 0.2 H 0.03 W 0.01 HN Overlap>> 1.D106 1.D106 C Shift Assignments>> C :: 177.450 CA :: 56.240 CB :: 36.110 CD2 :: 131.500 CE2 :: 118.090 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 :: 8.592 HA :: 4.954 HB2 :: 3.236 HB3 :: 3.090 HD2 :: 6.986 HE2 :: 6.683 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 :: 120.050 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 0.93 W 0.05 C Shift Assignments>> C :: 173.090 CA :: 53.900 CB :: 36.250 CD1 :: 126.200 CE3 :: 121.900 CZ2 :: 114.028 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 :: 7.926 HA :: 6.028 HB2 :: 3.610 HB3 :: 3.220 HD1 :: 7.334 HE1 :: 10.112 HE3 :: 8.308 HZ2 :: 7.697 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 125.500 NE1 :: 128.474 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 0.74 C 0.25 C Shift Assignments>> CA :: 63.680 CB :: 32.250 CG :: 27.900 CD :: 51.350 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 :: 4.810 HB2 :: 2.527 HB3 :: 1.860 HG2 :: 1.706 HD2 :: 3.800 HD3 :: 2.208(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 :: 176.300 CA :: 61.230 CB :: 69.890 CG2 :: 21.000 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 :: 7.356 HA :: 4.142 HB :: 4.280 HG21 :: -0.132(S) HG22 :: -0.132(S) HG23 :: -0.132(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 :: 109.114 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 0.35 C 0.33 K 0.1 Q 0.09 I 0.06 M 0.04 C Shift Assignments>> C :: 177.830 CA :: 58.230 CB :: 29.770 CG :: 35.800 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 :: 7.265 HA :: 4.238 HB2 :: 2.070 HB3 :: 1.950 HG2 :: 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 :: 123.980 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 C Shift Assignments>> C :: 173.700 CA :: 45.400 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.181 HA2 :: 3.649 HA3 :: 4.236 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 114.570 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 0.19 L 0.18 D 0.17 Y 0.15 K 0.14 C 0.08 N 0.03 I 0.02 R 0.01 C Shift Assignments>> C :: 175.680 CA :: 56.470 CB :: 41.000 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 7.877 HA :: 5.310 HB2 :: 3.418 HB3 :: 2.855 HD1 :: 7.000 HE1 :: 7.380 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 :: 118.923 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>> C 0.31 E 0.31 M 0.27 Q 0.06 K 0.01 C Shift Assignments>> C :: 172.880 CA :: 55.430 CB :: 31.420 CG :: 35.860 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 :: 9.225 HA :: 4.700 HB2 :: 1.883 HB3 :: 1.795 HG2 :: 2.093 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 :: 124.890 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>> Y 0.42 F 0.39 C 0.17 HN Overlap>> 1.A67 1.A67 C Shift Assignments>> C :: 173.750 CA :: 56.790 CB :: 40.050 CD1 :: 132.300 CE1 :: 131.500 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 :: 7.716 HA :: 4.809 HB2 :: 3.470 HB3 :: 3.264 HD1 :: 7.230 HE1 :: 6.580 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 :: 119.166 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 HN Overlap>> 1.V68 1.V68 C Shift Assignments>> C :: 175.300 CA :: 61.100 CB :: 70.600 CG2 :: 21.900 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 :: 7.220 HA :: 4.400 HB :: 4.225 HG21 :: 1.000 HG22 :: 1.000 HG23 :: 1.000 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 106.800 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 0.98 T 0.01 C Shift Assignments>> C :: 175.720 CA :: 56.250 CB :: 65.635 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.411 HA :: 4.680 HB2 :: 4.057 HB3 :: 4.142 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 :: 118.360 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 0.66 C 0.33 C Shift Assignments>> CA :: 62.500 CB :: 32.400 CG :: 26.550 CD :: 50.740 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 :: 4.775 HB2 :: 2.230 HB3 :: 2.078 HG2 :: 2.135 HG3 :: 1.935 HD2 :: 4.125 HD3 :: 4.004 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: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.62 R 0.26 K 0.08 G 0.02 C Shift Assignments>> CA :: 61.700 CB :: 30.570 CG :: 26.900 CD :: 29.700 CE :: 42.320 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.445 HA :: 4.233 HB2 :: 2.070 HB3 :: 1.643 HG2 :: 1.431 HG3 :: 1.666 HD2 :: 1.679 HE2 :: 3.034 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 :: 122.014 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 0.8 C 0.19 C Shift Assignments>> C :: 174.000 CA :: 64.700 CB :: 31.200 CG :: 26.110 CD :: 49.700 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 :: 4.518 HB2 :: 2.082 HG2 :: 2.728 HG3 :: 1.648 HD2 :: 3.932 HD3 :: 3.473 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 0.84 V 0.13 I 0.01 C Shift Assignments>> C :: 175.210 CA :: 59.620 CB :: 34.980 CG1 :: 19.140 CG2 :: 23.180 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 :: 6.697 HA :: 5.200 HB :: 1.947 HG11 :: 0.920 HG12 :: 0.920 HG13 :: 0.920 HG21 :: 0.820 HG22 :: 0.820 HG23 :: 0.820 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 :: 113.260 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 0.54 C 0.44 G 0.01 C Shift Assignments>> C :: 175.440 CA :: 60.450 CB :: 42.100 CG1 :: 26.600 CG2 :: 17.688 CD1 :: 13.356 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 :: 8.756 HA :: 4.380 HB :: 1.684 HG12 :: 0.906 HG13 :: 0.485 HG21 :: 0.422 HG22 :: 0.422 HG23 :: 0.422 HD11 :: 0.110 HD12 :: 0.110 HD13 :: 0.110 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 119.940 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 0.54 M 0.43 C 0.01 C Shift Assignments>> C :: 178.312 CA :: 53.080 CB :: 16.836 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.523 HA :: 3.960 HB1 :: 1.297 HB2 :: 1.297 HB3 :: 1.297 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.632 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 0.23 N 0.18 F 0.17 Y 0.16 L 0.12 C 0.1 I 0.01 C Shift Assignments>> C :: 176.387 CA :: 55.210 CB :: 39.700 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 :: 8.635 HA :: 4.252 HB2 :: 2.903 HB3 :: 2.663 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 :: 117.366 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 0.78 L 0.12 C 0.03 R 0.02 F 0.01 C Shift Assignments>> C :: 174.922 CA :: 45.100 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.610 HA2 :: 4.248 HA3 :: 3.328 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 104.310 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 0.28 Q 0.24 E 0.18 K 0.15 M 0.12 I 0.01 HN Overlap>> 1.D23 1.D23 C Shift Assignments>> C :: 176.390 CA :: 57.640 CB :: 30.230 CG :: 34.500 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 :: 7.870 HA :: 4.055 HB2 :: 2.250 HB3 :: 2.134 HG2 :: 2.503 HG3 :: 2.325 HE21 :: 6.818 HE22 :: 7.483 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 :: 118.784 NE2 :: 112.800 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 0.42 L 0.24 C 0.22 A 0.11 HN Overlap>> 1.L152 1.L152 C Shift Assignments>> C :: 175.913 CA :: 53.600 CB :: 46.400 CG :: 26.560 CD1 :: 25.761 CD2 :: 22.800 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 :: 7.356 HA :: 4.987 HB2 :: 1.220 HB3 :: 1.316 HG :: 1.320 HD11 :: 0.828 HD12 :: 0.828 HD13 :: 0.828 HD21 :: 0.780 HD22 :: 0.780 HD23 :: 0.780 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 :: 118.040 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>> F 0.45 Y 0.26 C 0.14 G 0.13 C Shift Assignments>> C :: 178.780 CA :: 56.850 CB :: 43.460 CD2 :: 131.500 CE2 :: 131.500 CZ :: 128.500 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 :: 10.094 HA :: 5.310 HB2 :: 3.560 HB3 :: 3.043 HD2 :: 6.860 HE2 :: 6.055 HZ :: 6.828 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 0.81 V 0.18 HN Overlap>> 1.C12 1.C12 C Shift Assignments>> C :: 172.790 CA :: 62.000 CB :: 30.550 CG1 :: 18.200 CG2 :: 21.155 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 :: 7.470 HA :: 3.481 HB :: 1.790 HG11 :: 0.447 HG12 :: 0.447 HG13 :: 0.447 HG21 :: -0.140(S) HG22 :: -0.140(S) HG23 :: -0.140(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 :: 109.690 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 C Shift Assignments>> C :: 171.513 CA :: 45.430 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.137 HA2 :: 4.619 HA3 :: 3.925 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.060 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 0.61 A 0.35 I 0.02 C Shift Assignments>> C :: 173.640 CA :: 55.920 CB :: 37.550 CG :: 24.750 CD1 :: 20.120 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 :: 7.517 HA :: 2.975 HB2 :: 0.053(S) HB3 :: -1.666(A) HG :: -0.258(S) HD11 :: -0.877(S) HD12 :: -0.877(S) HD13 :: -0.877(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 :: 117.863 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: Consistent PRTL>> L 0.35 A 0.28 C 0.23 G 0.05 P 0.03 K 0.02 C Shift Assignments>> C :: 175.730 CA :: 49.440 CB :: 23.310 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 5.186(S) HA :: 4.277 HB1 :: 0.085(S) HB2 :: 0.085(S) HB3 :: 0.085(S) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.990 Ave N Shift Values>> N :: 123.23(3.54) 1.L144 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.71 C 0.14 A 0.08 L 0.05 C Shift Assignments>> C :: 174.473 CA :: 53.240 CB :: 45.300 CG :: 25.200 CD1 :: 22.823 CD2 :: 26.900 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 :: 4.780 HB2 :: 1.330 HB3 :: 1.945 HG :: 0.602 HD11 :: 0.830 HD12 :: 0.830 HD13 :: 0.830 HD21 :: 1.167 HD22 :: 1.167 HD23 :: 1.167 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 125.477 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 0.32 D 0.23 R 0.18 G 0.07 K 0.05 C 0.04 F 0.03 N 0.03 Y 0.01 HN Overlap>> 1.M43 1.M43 C Shift Assignments>> C :: 176.470 CA :: 52.630 CB :: 43.000 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 :: 8.164 HA :: 5.532 HB2 :: 2.840 HB3 :: 2.668 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 :: 118.915 Ave N Shift Values>> N :: 120.65(3.86) 1.E146 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.39 C 0.31 M 0.1 Q 0.08 K 0.08 I 0.01 C Shift Assignments>> C :: 177.290 CA :: 56.120 CB :: 30.150 CG :: 36.050 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 :: 9.490 HA :: 4.376 HB2 :: 2.208 HB3 :: 1.304 HG2 :: 2.529 HG3 :: 2.210 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 :: 124.813 Ave N Shift Values>> N :: 120.67(3.48) 1.T147 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.97 C 0.02 C Shift Assignments>> C :: 175.683 CA :: 66.250 CB :: 69.600 CG2 :: 21.570 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 :: 8.562 HA :: 4.200 HB :: 4.225 HG21 :: 1.250 HG22 :: 1.250 HG23 :: 1.250 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 118.328 Ave N Shift Values>> N :: 115.42(4.75) 1.N148 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Suspicious PRTL>> D 0.3 L 0.26 K 0.13 N 0.06 F 0.06 R 0.05 C 0.04 Y 0.04 C Shift Assignments>> C :: 175.870 CA :: 53.700 CB :: 41.880 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 :: 9.118 HA :: 4.987 HB2 :: 2.880 HB3 :: 2.330 HD21 :: 8.091 HD22 :: 9.915(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 :: 115.550 ND2 :: 125.045(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 0.33 K 0.28 C 0.21 M 0.09 R 0.04 E 0.02 HN Overlap>> 1.L72 1.L72 C Shift Assignments>> C :: 177.780 CA :: 53.900 CB :: 29.300 CG :: 33.340 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 :: 7.555 HA :: 4.843 HB2 :: 2.252 HB3 :: 2.135 HG2 :: 2.445 HG3 :: 1.845 HE21 :: 6.741 HE22 :: 7.746 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 :: 117.400 NE2 :: 115.100 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>> C 0.58 Y 0.38 H 0.02 W 0.01 C Shift Assignments>> C :: 177.830 CA :: 58.487 CB :: 36.600 CD1 :: 133.932 CE1 :: 118.890 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 :: 6.983 HA :: 4.528 HB2 :: 3.448 HB3 :: 3.355 HD1 :: 7.093 HE1 :: 6.942 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 :: 120.674 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>> N 0.2 Y 0.18 F 0.18 D 0.17 C 0.12 L 0.07 I 0.02 E 0.01 C Shift Assignments>> C :: 176.400 CA :: 55.400 CB :: 39.080 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 :: 8.626 HA :: 4.515 HB2 :: 2.577 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 120.810 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: Consistent PRTL>> L 0.42 C 0.32 A 0.17 G 0.04 R 0.03 HN Overlap>> 1.E162 1.E162 1.L138 1.L138 C Shift Assignments>> C :: 178.470 CA :: 54.600 CB :: 42.600 CG :: 25.360 CD1 :: 22.280 CD2 :: 25.750 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 :: 7.453 HA :: 4.676 HB2 :: 1.649 HG :: 1.511 HD11 :: 0.794 HD12 :: 0.794 HD13 :: 0.794 HD21 :: 0.780 HD22 :: 0.780 HD23 :: 0.780 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 :: 118.083 Ave N Shift Values>> N :: 121.86(3.9) 1.S153 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.590 CA :: 63.400 CB :: 63.100 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.360 HA :: 3.960 HB2 :: 4.158 HB3 :: 3.836 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 :: 116.407 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>> Y 0.3 F 0.29 I 0.17 C 0.15 L 0.03 D 0.02 C Shift Assignments>> C :: 178.640 CA :: 59.000 CB :: 39.570 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 9.046 HA :: 4.310 HB2 :: 2.648 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 :: 121.960 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: Consistent PRTL>> C 0.37 E 0.33 I 0.19 K 0.05 Q 0.02 M 0.01 C Shift Assignments>> C :: 179.600 CA :: 59.450 CB :: 29.400 CG :: 36.480 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 :: 8.593 HA :: 4.185 HB2 :: 2.176 HG2 :: 2.415 HG3 :: 2.478 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 :: 121.310 Ave N Shift Values>> N :: 120.67(3.48) 1.R156 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 G 0.29 R 0.17 C Shift Assignments>> C :: 177.330 CA :: 60.460 CB :: 30.760 CG :: 28.400 CD :: 44.330 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 :: 8.163 HA :: 4.300 HB2 :: 1.920 HB3 :: 1.660 HG2 :: 2.390 HG3 :: 2.173 HD2 :: 3.130 HD3 :: 2.918 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 :: 121.394 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 0.67 C 0.32 C Shift Assignments>> C :: 178.814 CA :: 66.694 CB :: 38.853 CG1 :: 31.380 CG2 :: 19.060 CD1 :: 13.900 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 :: 8.966 HA :: 3.434 HB :: 1.807 HG12 :: 0.375 HG13 :: 1.915 HG21 :: 0.730 HG22 :: 0.730 HG23 :: 0.730 HD11 :: 0.723 HD12 :: 0.723 HD13 :: 0.723 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 :: 118.390 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 0.05 P 0.03 E 0.03 HN Overlap>> 1.E60 1.E60 C Shift Assignments>> C :: 178.843 CA :: 60.600 CB :: 28.390 CG :: 33.750 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 :: 8.394 HA :: 3.956 HB2 :: 2.262 HB3 :: 2.292 HG2 :: 2.477 HE21 :: 6.812 HE22 :: 7.736 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 :: 120.060 NE2 :: 112.750 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 0.99 C Shift Assignments>> C :: 177.330 CA :: 62.400 CB :: 63.760 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.460 HA :: 4.455 HB2 :: 4.509 HB3 :: 4.425 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 :: 115.613 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>> C 0.58 W 0.41 C Shift Assignments>> C :: 178.050 CA :: 62.700 CB :: 29.360 CD1 :: 126.220 CE3 :: 122.100 CZ2 :: 116.060 CH2 :: 123.770 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 :: 9.318 HA :: 4.465 HB2 :: 3.085 HB3 :: 2.753 HD1 :: 7.355 HE1 :: 11.495 HE3 :: 7.435 HZ2 :: 7.730 HZ3 :: 6.630 HH2 :: 6.830 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 :: 126.820 NE1 :: 134.294 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 0.46 P 0.41 C 0.09 V 0.01 C Shift Assignments>> C :: 176.270 CA :: 65.360 CB :: 27.880 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.950 HA :: 3.883 HB2 :: 3.185 HB3 :: 2.387 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 :: 116.750 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 0.37 E 0.32 I 0.19 K 0.06 Q 0.02 M 0.01 HN Overlap>> 1.L42 1.L152 1.L42 1.L152 C Shift Assignments>> C :: 178.680 CA :: 59.730 CB :: 29.430 CG :: 36.260 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 :: 7.550 HA :: 3.930 HB2 :: 2.238 HB3 :: 2.200 HG2 :: 2.503 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 :: 118.096 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 0.38 K 0.29 Q 0.16 R 0.07 M 0.05 HN Overlap>> 1.I61 1.I61 C Shift Assignments>> C :: 179.690 CA :: 59.540 CB :: 29.000 CG :: 32.600 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 :: 8.205 HA :: 4.177 HB2 :: 2.510 HB3 :: 2.460 HG2 :: 2.330 HG3 :: 2.525 HE21 :: 7.742 HE22 :: 7.742 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 :: 120.790 NE2 :: 110.240 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 0.87 C 0.12 C Shift Assignments>> C :: 178.680 CA :: 66.210 CB :: 37.700 CG1 :: 24.950 CG2 :: 17.420 CD1 :: 12.465 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 :: 9.005 HA :: 4.043 HB :: 1.387 HG12 :: 1.178 HG13 :: 1.000 HG21 :: -0.030 HG22 :: -0.030 HG23 :: -0.030 HD11 :: -0.155 HD12 :: -0.155 HD13 :: -0.155 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 :: 114.860 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 0.35 R 0.02 HN Overlap>> 1.T31 1.T31 C Shift Assignments>> C :: 180.520 CA :: 58.300 CB :: 41.050 CG :: 27.230 CD1 :: 22.470 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 :: 7.825 HA :: 4.150 HB2 :: 1.935 HB3 :: 1.406 HG :: 1.845 HD11 :: 0.845 HD12 :: 0.845 HD13 :: 0.845 HD21 :: 0.865 HD22 :: 0.865 HD23 :: 0.865 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 :: 123.900 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 0.25 F 0.21 C 0.18 N 0.1 D 0.07 I 0.05 E 0.04 L 0.03 M 0.01 HN Overlap>> 1.Y172 1.Y172 C Shift Assignments>> C :: 178.440 CA :: 56.420 CB :: 38.420 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 :: 7.760 HA :: 4.583 HB2 :: 3.077 HB3 :: 2.908 HD21 :: 7.646 HD22 :: 7.032 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 :: 120.112 ND2 :: 114.110 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 0.68 I 0.19 E 0.09 M 0.01 C Shift Assignments>> C :: 180.332 CA :: 60.150 CB :: 31.020 CG :: 38.400 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 :: 8.921 HA :: 4.103 HB2 :: 2.219 HB3 :: 2.108 HG2 :: 2.768 HG3 :: 2.234 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 :: 121.370 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 0.57 M 0.41 HN Overlap>> 1.A100 1.A100 C Shift Assignments>> C :: 176.600 CA :: 59.300 CB :: 33.400 CG :: 32.500 CE :: 17.000 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 :: 8.718 HA :: 4.015 HB2 :: 2.261 HB3 :: 2.037 HG2 :: 2.702 HG3 :: 2.746 HE1 :: 1.784 HE2 :: 1.784 HE3 :: 1.784 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 :: 118.532 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>> A 0.57 M 0.38 C 0.02 I 0.01 C Shift Assignments>> C :: 179.410 CA :: 54.400 CB :: 18.410 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.448 HA :: 4.174 HB1 :: 1.562 HB2 :: 1.562 HB3 :: 1.562 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.922 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 0.38 C 0.34 K 0.09 I 0.06 Q 0.06 M 0.04 C Shift Assignments>> C :: 177.470 CA :: 57.950 CB :: 29.775 CG :: 36.100 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 :: 7.734 HA :: 4.095 HB2 :: 1.958 HG2 :: 2.313 HG3 :: 2.168 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 117.300 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>> H 0.35 W 0.32 C 0.31 C Shift Assignments>> C :: 175.120 CA :: 57.200 CB :: 30.600 CD2 :: 118.880 CE1 :: 138.000 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 :: 7.788 HA :: 4.500 HB2 :: 3.015 HB3 :: 2.893 HD2 :: 6.670 HE1 :: 8.055 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 117.944 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 0.64 C 0.35 HN Overlap>> 1.N166 1.N166 C Shift Assignments>> C :: 174.612 CA :: 57.980 CB :: 38.980 CD1 :: 133.120 CE1 :: 118.180 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 :: 7.820 HA :: 4.593 HB2 :: 3.223 HB3 :: 2.808 HD1 :: 7.160 HE1 :: 6.780 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 :: 120.040 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>> D 0.16 N 0.14 A 0.11 L 0.1 M 0.08 H 0.06 Q 0.05 R 0.05 C 0.04 K 0.04 W 0.03 E 0.02 F 0.02 Y 0.02 C Shift Assignments>> CA :: 54.230 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.553 HA :: 4.096 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 130.670 Ave N Shift Values>> N :: 123.23(3.54) 2.FMN1 Overall Status: Residue type FMN not supported. ########################################################################### Overall Results: #Consistent: 139 #Clerical: 0 #Suspicious: 28 #Anomalous: 4 #Mistyped: 2 #Indeterminable: 0 Typing Results: #Consistent: 171 #Suspicious: 0 #Mistyped: 2 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 172 #Suspicious: 1 C Shift Results: #Consistent: 747 #Duplicate: 0 #Unknown: 0 #Suspicious: 3 #Anomalous: 0 H Shift Results: #Consistent:1098 #Duplicate: 0 #Unknown: 0 #Suspicious: 58 #Anomalous: 3 N Shift Results: #Consistent: 182 #Duplicate: 0 #Unknown: 0 #Suspicious: 2 #Anomalous: 1 Error Summary: 1.G4 HA3 = 2.074(S), Expected = 3.90, Std = 0.3700, ChiSquare = 8.0095e-07 1.L5 HA = 6.402(A), Expected = 4.32, Std = 0.4700, ChiSquare = 9.4326e-06 1.S10 H = 11.636(S), Expected = 8.28, Std = 0.5900, ChiSquare = 1.2843e-08 1.S10 N = 131.193(S), Expected = 116.28, Std = 3.5200, ChiSquare = 2.2688e-05 1.Y13 H = 10.886(S), Expected = 8.32, Std = 0.7300, ChiSquare = 4.3964e-04 1.T14 H = 11.405(S), Expected = 8.24, Std = 0.6200, ChiSquare = 3.3108e-07 1.E15 HA = 2.890(S), Expected = 4.25, Std = 0.4100, ChiSquare = 9.0966e-04 1.R22 NE = 116.650(A), Expected = 84.63, Std = 1.6800, ChiSquare = 5.4771e-81 1.H33 HB3 = 1.435(S), Expected = 3.04, Std = 0.3800, ChiSquare = 2.4034e-05 1.H33 HD2 = 5.480(S), Expected = 7.00, Std = 0.4300, ChiSquare = 4.0795e-04 1.N34 HA = 3.434(S), Expected = 4.67, Std = 0.3600, ChiSquare = 5.9621e-04 1.L35 HD21 = -0.977(S), Expected = 0.73, Std = 0.2900, ChiSquare = 3.9516e-09 1.L35 HD22 = -0.977(S), Expected = 0.73, Std = 0.2900, ChiSquare = 3.9516e-09 1.L35 HD23 = -0.977(S), Expected = 0.73, Std = 0.2900, ChiSquare = 3.9516e-09 1.M43 HB3 = 0.787(S), Expected = 1.99, Std = 0.3400, ChiSquare = 4.0281e-04 1.L51 HA = 6.185(S), Expected = 4.32, Std = 0.4700, ChiSquare = 7.2452e-05 1.L51 HD21 = 1.875(S), Expected = 0.73, Std = 0.2900, ChiSquare = 7.8716e-05 1.L51 HD22 = 1.875(S), Expected = 0.73, Std = 0.2900, ChiSquare = 7.8716e-05 1.L51 HD23 = 1.875(S), Expected = 0.73, Std = 0.2900, ChiSquare = 7.8716e-05 1.G52 HA3 = 2.304(S), Expected = 3.90, Std = 0.3700, ChiSquare = 1.6068e-05 1.P54 HG2 = 3.380(S), Expected = 1.93, Std = 0.3100, ChiSquare = 2.9051e-06 1.W56 HA = 2.715(S), Expected = 4.68, Std = 0.5300, ChiSquare = 2.0928e-04 1.W56 HE3 = 11.362(A), Expected = 7.31, Std = 0.4100, ChiSquare = 4.9369e-23 1.W56 SRO Rule Break>> HA > HB2 : 0.994219653179191 1.F58 HB3 = 1.545(S), Expected = 2.93, Std = 0.4000, ChiSquare = 5.3518e-04 1.I61 HD11 = -0.380(S), Expected = 0.68, Std = 0.2900, ChiSquare = 2.5701e-04 1.I61 HD12 = -0.380(S), Expected = 0.68, Std = 0.2900, ChiSquare = 2.5701e-04 1.I61 HD13 = -0.380(S), Expected = 0.68, Std = 0.2900, ChiSquare = 2.5701e-04 1.Q62 H = 5.667(S), Expected = 8.22, Std = 0.5900, ChiSquare = 1.5107e-05 1.L87 Typing: Mistyped 1.L87 CG = 31.654(S), Expected = 26.78, Std = 1.1000, ChiSquare = 9.3837e-06 1.G88 HA2 = 5.310(S), Expected = 3.97, Std = 0.3700, ChiSquare = 2.9276e-04 1.Q90 HB3 = 0.299(S), Expected = 2.02, Std = 0.2800, ChiSquare = 7.9247e-10 1.Q90 HE21 = 9.014(S), Expected = 7.24, Std = 0.4500, ChiSquare = 8.0730e-05 1.Y93 HE1 = 7.460(S), Expected = 6.70, Std = 0.2300, ChiSquare = 9.5198e-04 1.G94 Typing: Mistyped 1.G94 CA = 50.030(S), Expected = 45.35, Std = 1.3400, ChiSquare = 4.7845e-04 1.E95 HB2 = 0.450(S), Expected = 2.02, Std = 0.2100, ChiSquare = 7.6508e-14 1.E95 HB3 = 0.375(S), Expected = 1.99, Std = 0.2300, ChiSquare = 2.1912e-12 1.E95 HG2 = 1.457(S), Expected = 2.27, Std = 0.2100, ChiSquare = 1.0820e-04 1.L98 HG = -0.575(S), Expected = 1.51, Std = 0.3300, ChiSquare = 2.6466e-10 1.L98 HD11 = -1.063(S), Expected = 0.75, Std = 0.2800, ChiSquare = 9.4812e-11 1.L98 HD12 = -1.063(S), Expected = 0.75, Std = 0.2800, ChiSquare = 9.4812e-11 1.L98 HD13 = -1.063(S), Expected = 0.75, Std = 0.2800, ChiSquare = 9.4812e-11 1.H105 CE1 = 130.680(S), Expected = 137.71, Std = 2.1200, ChiSquare = 9.1303e-04 1.H105 HE1 = 6.207(S), Expected = 7.95, Std = 0.4800, ChiSquare = 2.8205e-04 1.K107 HE2 = 2.206(S), Expected = 2.92, Std = 0.1900, ChiSquare = 1.7135e-04 1.K107 HE3 = 1.943(S), Expected = 2.91, Std = 0.2000, ChiSquare = 1.3315e-06 1.V113 HG11 = -0.151(S), Expected = 0.83, Std = 0.2600, ChiSquare = 1.6125e-04 1.V113 HG12 = -0.151(S), Expected = 0.83, Std = 0.2600, ChiSquare = 1.6125e-04 1.V113 HG13 = -0.151(S), Expected = 0.83, Std = 0.2600, ChiSquare = 1.6125e-04 1.P120 HD3 = 2.208(S), Expected = 3.61, Std = 0.3900, ChiSquare = 3.2455e-04 1.T121 HG21 = -0.132(S), Expected = 1.14, Std = 0.2300, ChiSquare = 3.1944e-08 1.T121 HG22 = -0.132(S), Expected = 1.14, Std = 0.2300, ChiSquare = 3.1944e-08 1.T121 HG23 = -0.132(S), Expected = 1.14, Std = 0.2300, ChiSquare = 3.1944e-08 1.V140 HG21 = -0.140(S), Expected = 0.80, Std = 0.2800, ChiSquare = 7.8752e-04 1.V140 HG22 = -0.140(S), Expected = 0.80, Std = 0.2800, ChiSquare = 7.8752e-04 1.V140 HG23 = -0.140(S), Expected = 0.80, Std = 0.2800, ChiSquare = 7.8752e-04 1.L142 HB2 = 0.053(S), Expected = 1.61, Std = 0.3400, ChiSquare = 4.6629e-06 1.L142 HB3 = -1.666(A), Expected = 1.52, Std = 0.3600, ChiSquare = 8.7519e-19 1.L142 HG = -0.258(S), Expected = 1.51, Std = 0.3300, ChiSquare = 8.4346e-08 1.L142 HD11 = -0.877(S), Expected = 0.75, Std = 0.2800, ChiSquare = 6.2207e-09 1.L142 HD12 = -0.877(S), Expected = 0.75, Std = 0.2800, ChiSquare = 6.2207e-09 1.L142 HD13 = -0.877(S), Expected = 0.75, Std = 0.2800, ChiSquare = 6.2207e-09 1.A143 H = 5.186(S), Expected = 8.20, Std = 0.6000, ChiSquare = 5.0782e-07 1.A143 HB1 = 0.085(S), Expected = 1.35, Std = 0.2600, ChiSquare = 1.1423e-06 1.A143 HB2 = 0.085(S), Expected = 1.35, Std = 0.2600, ChiSquare = 1.1423e-06 1.A143 HB3 = 0.085(S), Expected = 1.35, Std = 0.2600, ChiSquare = 1.1423e-06 1.N148 HD22 = 9.915(S), Expected = 7.14, Std = 0.4900, ChiSquare = 1.4852e-08 1.N148 ND2 = 125.045(S), Expected = 112.75, Std = 2.2300, ChiSquare = 3.5186e-08