Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.A1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.76 M 0.19 L 0.01 C Shift Assignments>> CA :: 54.130 CB :: 19.420 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.319 HA :: 4.090 HB1 :: 1.160 HB2 :: 1.160 HB3 :: 1.160 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.172 Ave N Shift Values>> N :: 123.23(3.54) 1.F2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.64 Y 0.35 C Shift Assignments>> CA :: 59.610 CB :: 39.760 CD1 :: 131.110 CD2 :: 131.110 CE1 :: 131.040 CE2 :: 131.040 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 :: 8.270 HA :: 4.440 HB2 :: 3.080 HB3 :: 3.080 HD1 :: 7.170 HD2 :: 6.910 HE1 :: 7.010 HE2 :: 6.760 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 :: 113.067 Ave N Shift Values>> N :: 120.45(4.18) 1.D3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.25 N 0.24 F 0.18 Y 0.17 L 0.11 I 0.01 HN Overlap>> 1.K29 1.K29 C Shift Assignments>> CA :: 55.030 CB :: 39.460 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 :: 7.554 HA :: 4.890 HB2 :: 2.820 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 :: 118.589 Ave N Shift Values>> N :: 120.65(3.86) 1.S4 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> S 0.97 T 0.02 C Shift Assignments>> CA :: 59.530 CB :: 65.300 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.250 HA :: 4.250 HB2 :: 3.270 HB3 :: 2.500(S) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 120.654 Ave N Shift Values>> N :: 116.28(3.52) 1.T5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> CA :: 63.480 CB :: 69.630 CG2 :: 22.060 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 :: 8.041 HA :: 5.160 HB :: 3.970 HG21 :: 1.180 HG22 :: 1.180 HG23 :: 1.180 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 :: 115.812 Ave N Shift Values>> N :: 115.42(4.75) 1.W6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.99 C Shift Assignments>> CA :: 55.770 CB :: 32.800 CD1 :: 127.280 CE3 :: 119.960 CZ2 :: 114.300 CZ3 :: 123.970 CH2 :: 124.570 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 9.514 HA :: 5.240 HB2 :: 3.160 HB3 :: 2.910 HD1 :: 6.690 HE1 :: 9.787 HE3 :: 7.250 HZ2 :: 7.350 HZ3 :: 7.220 HH2 :: 6.860 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 :: 128.256 NE1 :: 126.610 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.K7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.72 R 0.23 G 0.03 C Shift Assignments>> CA :: 54.680 CB :: 35.840 CG :: 24.730 CD :: 29.450 CE :: 42.280 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 9.954 HA :: 5.490 HB2 :: 1.870 HB3 :: 1.870 HG2 :: 1.500 HG3 :: 1.500 HD2 :: 1.760 HD3 :: 1.760 HE2 :: 2.980 HE3 :: 2.980 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 :: 122.895 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.E43 1.E43 C Shift Assignments>> CA :: 64.810 CB :: 31.790 CG1 :: 22.470 CG2 :: 22.384 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 :: 8.780 HA :: 3.280 HB :: 1.730 HG11 :: 0.880 HG12 :: 0.880 HG13 :: 0.880 HG21 :: 0.270 HG22 :: 0.270 HG23 :: 0.270 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 128.078 Ave N Shift Values>> N :: 121.14(4.54) 1.D9 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 L 0.16 C Shift Assignments>> CA :: 55.750 CB :: 46.830(S) 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 :: 9.712 HA :: 4.930 HB2 :: 2.560 HB3 :: 2.480 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 127.565 Ave N Shift Values>> N :: 120.65(3.86) 1.R10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.76 G 0.12 K 0.11 C Shift Assignments>> CA :: 55.200 CB :: 31.470 CG :: 26.650 CD :: 43.410 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.823 HA :: 4.740 HB2 :: 1.860 HB3 :: 1.860 HG2 :: 1.640 HG3 :: 1.300 HD2 :: 3.110 HD3 :: 3.110 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 :: 112.578 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.S11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.81 T 0.18 C Shift Assignments>> CA :: 57.490 CB :: 66.620 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.602 HA :: 5.270 HB2 :: 3.780 HB3 :: 3.710 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 113.123 Ave N Shift Values>> N :: 116.28(3.52) 1.E12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.64 E 0.28 Q 0.06 HN Overlap>> 1.N13 1.N13 C Shift Assignments>> CA :: 55.420 CB :: 33.060 CG :: 35.570 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 :: 9.447 HA :: 4.760 HB2 :: 2.030 HB3 :: 2.030 HG2 :: 2.220 HG3 :: 2.220 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.867 Ave N Shift Values>> N :: 120.67(3.48) 1.N13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 N 0.29 L 0.13 F 0.12 Y 0.11 HN Overlap>> 1.E12 1.E12 C Shift Assignments>> CA :: 54.200 CB :: 39.870 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 :: 9.350 HA :: 4.720 HB2 :: 3.800 HB3 :: 2.790 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 :: 121.822 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.Y14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> CA :: 60.700 CB :: 39.620 CD1 :: 131.710 CD2 :: 131.710 CE1 :: 118.020 CE2 :: 118.020 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 :: 8.357 HA :: 4.290 HB2 :: 3.120 HB3 :: 2.870 HD1 :: 6.920 HD2 :: 6.680 HE1 :: 6.490 HE2 :: 6.240 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 :: 120.082 Ave N Shift Values>> N :: 120.52(4.2) 1.D15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.3 Y 0.24 K 0.17 L 0.1 I 0.08 D 0.05 R 0.01 C Shift Assignments>> CA :: 58.620 CB :: 41.140 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 :: 8.562 HA :: 4.060 HB2 :: 2.620 HB3 :: 2.620 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 :: 118.245 Ave N Shift Values>> N :: 120.65(3.86) 1.K16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.64 R 0.33 G 0.01 C Shift Assignments>> CA :: 58.610 CB :: 31.550 CG :: 25.350 CD :: 28.660 CE :: 42.210 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 :: 7.801 HA :: 4.050 HB2 :: 1.720 HB3 :: 1.860 HG2 :: 1.600 HG3 :: 1.550 HD2 :: 1.750 HD3 :: 1.750 HE2 :: 3.020 HE3 :: 3.020 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 118.806 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.F17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.6 Y 0.39 C Shift Assignments>> CA :: 61.620 CB :: 40.250 CD1 :: 131.390 CD2 :: 131.390 CE1 :: 129.540 CE2 :: 129.540 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 :: 7.543 HA :: 4.020 HB2 :: 3.040 HB3 :: 3.040 HD1 :: 7.130 HD2 :: 7.390 HE1 :: 6.970 HE2 :: 7.230 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 120.733 Ave N Shift Values>> N :: 120.45(4.18) 1.M18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.98 I 0.01 C Shift Assignments>> CA :: 59.860 CB :: 34.110 CG :: 32.760 CE :: 17.565 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 :: 8.063 HA :: 3.210 HB2 :: 1.190 HB3 :: 1.190 HG2 :: 1.460 HG3 :: 2.010 HE1 :: 1.526 HE2 :: 1.526 HE3 :: 1.526 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 :: 117.590 Ave N Shift Values>> N :: 120.09(3.57) 1.E19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.52 I 0.24 K 0.11 Q 0.08 M 0.03 C Shift Assignments>> CA :: 60.040 CB :: 29.790 CG :: 35.870 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.430 HA :: 3.830 HB2 :: 2.200 HB3 :: 1.760 HG2 :: 2.200 HG3 :: 2.070 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 :: 120.480 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>> K 0.53 R 0.44 G 0.01 C Shift Assignments>> CA :: 57.400 CB :: 31.940 CG :: 23.920 CD :: 28.340 CE :: 42.450 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 :: 8.080 HA :: 4.070 HB2 :: 2.090 HB3 :: 1.990 HG2 :: 1.700 HG3 :: 1.550 HD2 :: 1.920 HD3 :: 1.680 HE2 :: 3.160 HE3 :: 3.050 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 :: 122.631 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.M21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.84 A 0.15 C Shift Assignments>> CA :: 56.310 CB :: 32.729 CG :: 33.760 CE :: 16.748 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 :: 7.554 HA :: 3.810 HB2 :: 1.086 HB3 :: 1.086 HG2 :: 1.300 HG3 :: 1.300 HE1 :: 1.475 HE2 :: 1.475 HE3 :: 1.475 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 :: 114.794 Ave N Shift Values>> N :: 120.09(3.57) 1.G22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.09 R 0.01 C Shift Assignments>> CA :: 45.310 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.718 HA2 :: 3.650 HA3 :: 4.200 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.423 Ave N Shift Values>> N :: 109.67(3.87) 1.V23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> CA :: 62.650 CB :: 32.060 CG1 :: 22.030 CG2 :: 21.660 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 :: 7.491 HA :: 3.770 HB :: 1.340 HG11 :: 0.810 HG12 :: 0.810 HG13 :: 0.810 HG21 :: 0.530 HG22 :: 0.530 HG23 :: 0.530 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 121.380 Ave N Shift Values>> N :: 121.14(4.54) 1.N24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.38 D 0.26 F 0.12 Y 0.11 L 0.09 C Shift Assignments>> CA :: 54.090 CB :: 39.330 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 :: 4.430 HB2 :: 3.180 HB3 :: 2.720 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 :: 127.861 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.I25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> CA :: 65.350 CB :: 38.910 CG1 :: 29.410 CG2 :: 16.920 CD1 :: 13.980 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 :: 8.494 HA :: 3.660 HB :: 1.800 HG12 :: 1.480 HG13 :: 1.160 HG21 :: 0.960 HG22 :: 0.960 HG23 :: 0.960 HD11 :: 0.880 HD12 :: 0.880 HD13 :: 0.880 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 :: 121.002 Ave N Shift Values>> N :: 121.46(4.28) 1.V26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> CA :: 66.080 CB :: 31.930 CG1 :: 21.740 CG2 :: 21.380 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 :: 7.569 HA :: 3.680 HB :: 2.070 HG11 :: 1.000 HG12 :: 1.000 HG13 :: 1.000 HG21 :: 0.920 HG22 :: 0.920 HG23 :: 0.920 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 121.014 Ave N Shift Values>> N :: 121.14(4.54) 1.K27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.43 Q 0.28 R 0.17 M 0.08 E 0.01 C Shift Assignments>> CA :: 58.240 CB :: 32.610 CD :: 28.750 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 :: 7.729 HA :: 4.140 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 118.674 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.R28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.83 R 0.16 C Shift Assignments>> CA :: 60.040 CB :: 30.760 CD :: 44.820 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 :: 8.418 HA :: 3.740 HB2 :: 1.670 HB3 :: 1.880 HG2 :: 1.190 HG3 :: 1.190 HD2 :: 2.880 HD3 :: 3.140 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 119.667 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.K29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.7 R 0.27 G 0.02 HN Overlap>> 1.D3 1.D3 C Shift Assignments>> CA :: 59.460 CB :: 32.440 CG :: 25.500 CD :: 29.540 CE :: 42.310 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 :: 7.611 HA :: 4.040 HB2 :: 1.890 HB3 :: 1.890 HG2 :: 1.620 HG3 :: 1.430 HD2 :: 1.660 HD3 :: 1.660 HE2 :: 2.930 HE3 :: 2.930 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 118.502 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.88 R 0.09 G 0.02 C Shift Assignments>> CA :: 57.560 CB :: 42.320 CG :: 27.410 CD1 :: 24.930 CD2 :: 24.050 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 :: 7.292 HA :: 4.170 HB2 :: 1.750 HB3 :: 1.590 HG :: 1.630 HD11 :: 0.890 HD12 :: 0.890 HD13 :: 0.890 HD21 :: 0.800 HD22 :: 0.800 HD23 :: 0.800 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.200 Ave N Shift Values>> N :: 121.86(3.9) 1.A31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.72 M 0.24 L 0.01 C Shift Assignments>> CA :: 54.370 CB :: 19.300 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.257 HA :: 4.080 HB1 :: 1.170 HB2 :: 1.170 HB3 :: 1.170 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.380 Ave N Shift Values>> N :: 123.23(3.54) 1.A32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.68 M 0.29 I 0.01 C Shift Assignments>> CA :: 54.060 CB :: 18.710 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.320 HA :: 4.130 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 :: 117.152 Ave N Shift Values>> N :: 123.23(3.54) 1.H33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.55 W 0.44 C Shift Assignments>> CA :: 54.200 CB :: 28.310 CD2 :: 120.550 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 :: 7.675 HA :: 5.000 HB2 :: 3.440 HB3 :: 3.060 HD2 :: 7.240 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 :: 115.869 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.D34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.34 L 0.21 N 0.14 F 0.12 Y 0.09 K 0.06 C Shift Assignments>> CA :: 54.450 CB :: 40.740 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 :: 7.430 HA :: 4.200 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 :: 117.892 Ave N Shift Values>> N :: 120.65(3.86) 1.N35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.58 Y 0.1 D 0.09 F 0.08 E 0.05 M 0.03 L 0.02 C Shift Assignments>> CA :: 53.650 CB :: 37.760 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 :: 9.086 HA :: 4.310 HB2 :: 3.000 HB3 :: 2.720 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 :: 118.996 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.29 L 0.22 K 0.17 F 0.12 Y 0.08 D 0.06 G 0.01 I 0.01 C Shift Assignments>> CA :: 57.330 CB :: 42.810 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 6.914 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 :: 118.708 Ave N Shift Values>> N :: 121.86(3.9) 1.K37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.61 R 0.36 G 0.01 C Shift Assignments>> CA :: 55.170 CB :: 36.200 CG :: 25.290 CD :: 29.800 CE :: 41.870 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 9.246 HA :: 5.650 HB2 :: 1.850 HB3 :: 1.850 HG2 :: 1.630 HG3 :: 1.630 HD2 :: 1.660 HD3 :: 1.660 HE2 :: 2.930 HE3 :: 2.930 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 :: 126.148 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.73 L 0.22 A 0.04 C Shift Assignments>> CA :: 52.870 CB :: 46.720 CG :: 25.660 CD1 :: 24.210 CD2 :: 25.860 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 :: 9.324 HA :: 5.550 HB2 :: 1.590 HB3 :: 1.170 HG :: 1.490 HD11 :: 0.800 HD12 :: 0.800 HD13 :: 0.800 HD21 :: 0.330 HD22 :: 0.330 HD23 :: 0.330 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.300 Ave N Shift Values>> N :: 121.86(3.9) 1.T39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 HN Overlap>> 1.R126 1.R126 C Shift Assignments>> CA :: 62.950 CB :: 70.590 CG2 :: 21.220 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 :: 9.191 HA :: 5.280 HB :: 4.040 HG21 :: 1.170 HG22 :: 1.170 HG23 :: 1.170 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 :: 120.586 Ave N Shift Values>> N :: 115.42(4.75) 1.I40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> CA :: 61.570 CB :: 40.060 CG1 :: 28.140 CG2 :: 17.140 CD1 :: 12.160 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 :: 8.531 HA :: 4.860 HB :: 2.390 HG12 :: 1.710 HG13 :: 1.710 HG21 :: 0.820 HG22 :: 0.820 HG23 :: 0.820 HD11 :: 0.610 HD12 :: 0.610 HD13 :: 0.610 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 :: 128.371 Ave N Shift Values>> N :: 121.46(4.28) 1.T41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> CA :: 60.930 CB :: 71.450 CG2 :: 21.780 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 :: 8.624 HA :: 4.510 HB :: 3.850 HG21 :: 1.060 HG22 :: 1.060 HG23 :: 1.060 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 :: 120.285 Ave N Shift Values>> N :: 115.42(4.75) 1.Q42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.42 Q 0.32 K 0.23 R 0.01 C Shift Assignments>> CA :: 54.400 CB :: 30.560 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 :: 9.050 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 :: 126.369 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.E43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.49 M 0.43 Q 0.05 K 0.01 HN Overlap>> 1.V8 1.V8 C Shift Assignments>> CA :: 55.020 CB :: 31.630 CG :: 36.230 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 :: 8.807 HA :: 4.400 HB2 :: 1.720 HB3 :: 1.850 HG2 :: 2.010 HG3 :: 2.010 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 :: 128.036 Ave N Shift Values>> N :: 120.67(3.48) 1.G44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.9 L 0.04 A 0.03 HN Overlap>> 1.T104 1.T104 C Shift Assignments>> CA :: 47.460 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.060 HA2 :: 3.560 HA3 :: 3.920 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 117.000 Ave N Shift Values>> N :: 109.67(3.87) 1.N45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.55 D 0.22 F 0.07 Y 0.07 L 0.06 C Shift Assignments>> CA :: 53.040 CB :: 39.050 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 :: 8.769 HA :: 4.830 HB2 :: 3.140 HB3 :: 2.930 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 :: 124.910 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.K46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.72 R 0.25 G 0.01 C Shift Assignments>> CA :: 55.760 CB :: 34.610 CG :: 25.160 CD :: 29.600 CE :: 42.150 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 :: 7.873 HA :: 4.890 HB2 :: 1.860 HB3 :: 1.700 HG2 :: 1.280 HG3 :: 1.100 HD2 :: 1.560 HD3 :: 1.560 HE2 :: 2.810 HE3 :: 2.810 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 :: 120.293 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.F47 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> F 0.73 Y 0.16 G 0.1 HN Overlap>> 1.K50 1.K50 1.Y119 1.Y119 C Shift Assignments>> CA :: 56.450 CB :: 43.050 CD1 :: 130.820 CD2 :: 130.820 CE1 :: 130.600 CE2 :: 130.600 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 :: 9.130 HA :: 4.700 HB2 :: 1.570(S) HB3 :: 1.110(S) HD1 :: 6.730 HD2 :: 6.460 HE1 :: 7.040 HE2 :: 6.790 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 :: 127.531 Ave N Shift Values>> N :: 120.45(4.18) 1.T48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> CA :: 62.090 CB :: 70.280 CG2 :: 20.590 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 :: 8.318 HA :: 4.770 HB :: 3.860 HG21 :: 1.030 HG22 :: 1.030 HG23 :: 1.030 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 :: 115.162 Ave N Shift Values>> N :: 115.42(4.75) 1.V49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> CA :: 61.110 CB :: 34.330 CG1 :: 20.790 CG2 :: 20.820 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.580 HA :: 4.840 HB :: 2.140 HG21 :: 0.840 HG22 :: 0.840 HG23 :: 0.840 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 :: 127.272 Ave N Shift Values>> N :: 121.14(4.54) 1.K50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.99 HN Overlap>> 1.F47 1.F47 C Shift Assignments>> CA :: 55.500 CB :: 33.320 CG :: 24.960 CD :: 29.490 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 9.175 HA :: 4.993 HB2 :: 1.800 HB3 :: 1.990 HG2 :: 1.320 HG3 :: 1.460 HD2 :: 1.630 HD3 :: 1.630 HE2 :: 2.930 HE3 :: 2.930 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 :: 127.439 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.5 M 0.4 Q 0.06 K 0.01 C Shift Assignments>> CA :: 55.160 CB :: 31.450 CG :: 36.150 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 :: 9.173 HA :: 5.090 HB2 :: 2.040 HB3 :: 2.040 HG2 :: 2.340 HG3 :: 2.340 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 :: 128.140 Ave N Shift Values>> N :: 120.67(3.48) 1.S52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 56.630 CB :: 65.290 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.015 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 120.997 Ave N Shift Values>> N :: 116.28(3.52) 1.S53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.92 S 0.07 C Shift Assignments>> CA :: 56.780 CB :: 68.320 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.013 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 117.567 Ave N Shift Values>> N :: 116.28(3.52) 1.A54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.63 M 0.34 I 0.01 C Shift Assignments>> CA :: 54.030 CB :: 18.380 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.009 HA :: 4.030 HB1 :: 0.880 HB2 :: 0.880 HB3 :: 0.880 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.830 Ave N Shift Values>> N :: 123.23(3.54) 1.F55 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 8.050 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 :: 112.640 Ave N Shift Values>> N :: 120.45(4.18) 1.R56 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.N57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.38 L 0.2 N 0.19 F 0.07 K 0.06 Y 0.05 C Shift Assignments>> CA :: 53.190 CB :: 40.990 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 :: 8.487 HA :: 5.840 HB2 :: 2.770 HB3 :: 2.770 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 119.170 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.I58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.56 G 0.43 C Shift Assignments>> CA :: 60.150 CB :: 43.590 CG1 :: 27.700 CG2 :: 18.050 CD1 :: 14.130 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 :: 8.803 HA :: 4.860 HB :: 1.930 HG12 :: 1.520 HG13 :: 1.520 HG21 :: 0.920 HG22 :: 0.920 HG23 :: 0.920 HD11 :: 0.880 HD12 :: 0.880 HD13 :: 0.880 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 :: 117.653 Ave N Shift Values>> N :: 121.46(4.28) 1.E59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.63 M 0.28 I 0.08 C Shift Assignments>> CA :: 60.170 CB :: 32.900 CG :: 37.290 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 :: 8.519 HA :: 5.260 HB2 :: 1.960 HB3 :: 1.960 HG2 :: 2.010 HG3 :: 2.010 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 :: 123.376 Ave N Shift Values>> N :: 120.67(3.48) 1.V60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> CA :: 61.730 CB :: 35.030 CG1 :: 21.580 CG2 :: 21.510 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.227 HA :: 4.460 HB :: 2.260 HG11 :: 1.210 HG12 :: 1.210 HG13 :: 1.210 HG21 :: 1.210 HG22 :: 1.210 HG23 :: 1.210 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 :: 127.157 Ave N Shift Values>> N :: 121.14(4.54) 1.V61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> CA :: 60.350 CB :: 34.600 CG1 :: 21.360 CG2 :: 21.170 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 :: 8.179 HA :: 5.160 HB :: 1.890 HG11 :: 0.940 HG12 :: 0.940 HG13 :: 0.940 HG21 :: 0.830 HG22 :: 0.830 HG23 :: 0.830 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 :: 125.109 Ave N Shift Values>> N :: 121.14(4.54) 1.F62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.51 Y 0.48 C Shift Assignments>> CA :: 55.320 CB :: 41.060 CD1 :: 132.230 CD2 :: 132.230 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 :: 8.432 HA :: 4.840 HB2 :: 2.790 HB3 :: 2.790 HD1 :: 6.390 HD2 :: 6.650 HE1 :: 6.300 HE2 :: 6.560 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 121.713 Ave N Shift Values>> N :: 120.45(4.18) 1.E63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.64 E 0.33 Q 0.01 C Shift Assignments>> CA :: 53.700 CB :: 32.720 CG :: 36.570 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 :: 9.386 HA :: 5.330 HB2 :: 1.970 HB3 :: 1.860 HG2 :: 2.230 HG3 :: 2.230 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.775 Ave N Shift Values>> N :: 120.67(3.48) 1.L64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.86 R 0.1 A 0.01 C Shift Assignments>> CA :: 56.770 CB :: 41.390 CG :: 26.850 CD1 :: 27.060 CD2 :: 23.060 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 :: 8.834 HA :: 4.530 HB2 :: 2.020 HB3 :: 1.750 HG :: 2.160 HD11 :: 1.180 HD12 :: 1.180 HD13 :: 1.180 HD21 :: 0.740 HD22 :: 0.740 HD23 :: 0.740 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 :: 124.568 Ave N Shift Values>> N :: 121.86(3.9) 1.G65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.92 L 0.06 C Shift Assignments>> CA :: 46.210 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.299 HA2 :: 3.690 HA3 :: 4.290 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.336 Ave N Shift Values>> N :: 109.67(3.87) 1.V66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> CA :: 62.660 CB :: 32.900 CG1 :: 20.930 CG2 :: 21.650 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 :: 7.905 HA :: 4.380 HB :: 2.380 HG11 :: 0.940 HG12 :: 0.940 HG13 :: 0.940 HG21 :: 0.940 HG22 :: 0.940 HG23 :: 0.940 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 121.972 Ave N Shift Values>> N :: 121.14(4.54) 1.T67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> CA :: 64.580 CB :: 69.140 CG2 :: 22.490 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 :: 8.784 HA :: 4.390 HB :: 3.920 HG21 :: 1.140 HG22 :: 1.140 HG23 :: 1.140 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 :: 129.168 Ave N Shift Values>> N :: 115.42(4.75) 1.F68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.81 F 0.17 G 0.01 C Shift Assignments>> CA :: 56.240 CB :: 41.980 CD1 :: 133.750 CD2 :: 133.750 CE1 :: 130.520 CE2 :: 130.520 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 :: 9.687 HA :: 5.120 HB2 :: 3.540 HB3 :: 3.430 HD1 :: 7.570 HD2 :: 7.840 HE1 :: 7.020 HE2 :: 7.280 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 :: 126.387 Ave N Shift Values>> N :: 120.45(4.18) 1.N69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.38 N 0.36 L 0.14 F 0.04 Y 0.03 K 0.02 C Shift Assignments>> CA :: 51.630 CB :: 40.640 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 :: 8.370 HA :: 5.340 HB2 :: 2.280 HB3 :: 2.280 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 116.298 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.Y70 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 8.655 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 :: 120.913 Ave N Shift Values>> N :: 120.52(4.2) 1.N71 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.L72 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.A73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> A 0.63 M 0.35 C Shift Assignments>> CA :: 53.600 CB :: 17.960 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> HA :: 3.760 HB1 :: 1.130 HB2 :: 1.130 HB3 :: 1.130 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) 1.D74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.53 D 0.24 F 0.07 Y 0.07 L 0.06 C Shift Assignments>> CA :: 52.960 CB :: 39.210 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 :: 8.575 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 113.641 Ave N Shift Values>> N :: 120.65(3.86) 1.G75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.69 L 0.18 R 0.06 F 0.02 D 0.01 Y 0.01 HN Overlap>> 1.G99 1.G99 C Shift Assignments>> CA :: 44.800 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.745 HA2 :: 3.440 HA3 :: 4.290 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.874 Ave N Shift Values>> N :: 109.67(3.87) 1.T76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> CA :: 64.980 CB :: 68.240 CG2 :: 20.840 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 :: 7.724 HB :: 3.700 HG21 :: 0.920 HG22 :: 0.920 HG23 :: 0.920 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 119.192 Ave N Shift Values>> N :: 115.42(4.75) 1.E77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.64 M 0.31 I 0.02 Q 0.01 C Shift Assignments>> CA :: 56.450 CB :: 31.500 CG :: 37.030 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 :: 8.468 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 :: 128.678 Ave N Shift Values>> N :: 120.67(3.48) 1.L78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.72 L 0.25 C Shift Assignments>> CA :: 53.230 CB :: 45.400 CG :: 27.750 CD1 :: 25.820 CD2 :: 25.150 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 :: 8.875 HA :: 5.130 HB2 :: 1.000 HB3 :: 1.000 HG :: 1.330 HD11 :: 0.230 HD12 :: 0.230 HD13 :: 0.230 HD21 :: 0.500 HD22 :: 0.500 HD23 :: 0.500 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 :: 124.431 Ave N Shift Values>> N :: 121.86(3.9) 1.R79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> R 0.49 G 0.34 K 0.15 C Shift Assignments>> CA :: 54.560 CB :: 33.860 CG :: 27.850 CD :: 43.740 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>> HA :: 5.390 HB2 :: 1.510 HB3 :: 1.510 HG2 :: 1.220 HG3 :: 1.220 HD2 :: 3.140 HD3 :: 3.050 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) 1.G80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.93 L 0.05 C Shift Assignments>> CA :: 46.730 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.026 HA2 :: 3.920 HA3 :: 4.380 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 115.450 Ave N Shift Values>> N :: 109.67(3.87) 1.T81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.96 A 0.03 C Shift Assignments>> CA :: 59.010 CB :: 73.140 CG2 :: 21.680 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 :: 6.937 HA :: 4.680 HB :: 3.760 HG21 :: 0.930 HG22 :: 0.930 HG23 :: 0.930 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 :: 106.379 Ave N Shift Values>> N :: 115.42(4.75) 1.W82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.99 C Shift Assignments>> CA :: 56.400 CB :: 33.630 CE3 :: 120.890 CZ2 :: 113.600 CZ3 :: 120.830 CH2 :: 122.230 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 :: 9.126 HA :: 5.350 HE3 :: 7.140 HZ2 :: 6.750 HZ3 :: 6.640 HH2 :: 6.460 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 120.025 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.S83 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>> CA :: 57.080 CB :: 65.680 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.045 HA :: 5.490 HB2 :: 3.910 HB3 :: 3.860 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 :: 115.180 Ave N Shift Values>> N :: 116.28(3.52) 1.L84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.55 L 0.41 R 0.02 C Shift Assignments>> CA :: 54.600 CB :: 45.130 CG :: 27.210 CD1 :: 26.070 CD2 :: 24.340 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 :: 8.889 HA :: 5.200 HB2 :: 1.870 HB3 :: 1.370 HG :: 1.520 HD11 :: 0.960 HD12 :: 0.960 HD13 :: 0.960 HD21 :: 0.880 HD22 :: 0.880 HD23 :: 0.880 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 :: 125.420 Ave N Shift Values>> N :: 121.86(3.9) 1.E85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.47 M 0.41 Q 0.08 K 0.02 C Shift Assignments>> CA :: 55.310 CB :: 31.470 CG :: 35.970 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 :: 8.964 HA :: 4.610 HB2 :: 1.970 HB3 :: 1.840 HG2 :: 2.140 HG3 :: 2.140 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 :: 127.397 Ave N Shift Values>> N :: 120.67(3.48) 1.G86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.04 A 0.04 N 0.01 C Shift Assignments>> CA :: 47.580 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.039 HA2 :: 3.680 HA3 :: 3.990 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 117.395 Ave N Shift Values>> N :: 109.67(3.87) 1.N87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.57 D 0.19 Y 0.08 F 0.08 L 0.05 C Shift Assignments>> CA :: 53.170 CB :: 38.800 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 :: 8.765 HA :: 4.820 HB2 :: 2.980 HB3 :: 2.880 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 122.457 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.K88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.78 R 0.19 G 0.01 C Shift Assignments>> CA :: 56.000 CB :: 35.580 CG :: 24.770 CD :: 29.810 CE :: 41.910 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 :: 7.986 HA :: 4.960 HB2 :: 1.930 HB3 :: 1.930 HG2 :: 1.630 HG3 :: 1.630 HD2 :: 1.950 HD3 :: 1.950 HE2 :: 2.960 HE3 :: 2.960 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 117.971 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L89 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.73 G 0.23 A 0.03 C Shift Assignments>> CA :: 53.450 CB :: 43.856 CG :: 26.970 CD1 :: 23.731 CD2 :: 23.931 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 :: 8.622 HA :: 5.010 HB2 :: 1.110 HB3 :: 0.950 HG :: 0.950 HD11 :: -0.512(S) HD12 :: -0.512(S) HD13 :: -0.512(S) HD21 :: -0.129 HD22 :: -0.129 HD23 :: -0.129 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.876 Ave N Shift Values>> N :: 121.86(3.9) 1.I90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> CA :: 60.250 CB :: 38.760 CG1 :: 27.290 CG2 :: 17.650 CD1 :: 12.580 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 :: 9.589 HA :: 4.600 HB :: 1.960 HG12 :: 1.460 HG13 :: 1.340 HG21 :: 0.820 HG22 :: 0.820 HG23 :: 0.820 HD11 :: 0.820 HD12 :: 0.820 HD13 :: 0.820 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 :: 124.780 Ave N Shift Values>> N :: 121.46(4.28) 1.G91 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.63 L 0.21 R 0.08 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> CA :: 44.680 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.620 HA2 :: 2.090(S) HA3 :: 4.460 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 121.700 Ave N Shift Values>> N :: 109.67(3.87) 1.K92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.85 R 0.12 G 0.01 C Shift Assignments>> CA :: 55.450 CB :: 33.530 CG :: 24.310 CD :: 29.190 CE :: 42.060 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 :: 7.730 HA :: 4.710 HB2 :: 1.520 HB3 :: 1.400 HG2 :: 1.180 HG3 :: 1.180 HD2 :: 1.530 HD3 :: 1.530 HE2 :: 2.830 HE3 :: 2.830 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 :: 127.600 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.F93 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.59 F 0.35 Y 0.04 C Shift Assignments>> CA :: 55.960 CB :: 44.350 CD1 :: 130.660 CD2 :: 130.660 CE1 :: 130.570 CE2 :: 130.570 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 :: 8.443 HA :: 5.200 HB2 :: 2.910 HB3 :: 2.660 HD1 :: 6.310 HD2 :: 6.570 HE1 :: 5.740(S) HE2 :: 6.000(S) Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 122.003 Ave N Shift Values>> N :: 120.45(4.18) 1.K94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.52 R 0.43 G 0.03 C Shift Assignments>> CA :: 55.150 CB :: 36.180 CG :: 24.980 CD :: 30.060 CE :: 42.310 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 :: 8.803 HA :: 5.050 HB2 :: 1.570 HB3 :: 1.570 HG2 :: 1.340 HG3 :: 1.280 HD2 :: 1.630 HD3 :: 1.630 HE2 :: 2.950 HE3 :: 2.950 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 :: 119.319 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.R95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.54 R 0.42 K 0.02 C Shift Assignments>> CA :: 56.030 CB :: 31.720 CG :: 28.430 CD :: 44.530 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 :: 8.738 HA :: 4.760 HB2 :: 2.080 HB3 :: 2.080 HG2 :: 1.310 HG3 :: 1.770 HD2 :: 3.620 HD3 :: 3.620 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 122.142 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.T96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> CA :: 64.140 CB :: 68.570 CG2 :: 22.570 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 :: 8.520 HA :: 4.060 HB :: 4.300 HG21 :: 1.110 HG22 :: 1.110 HG23 :: 1.110 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 117.210 Ave N Shift Values>> N :: 115.42(4.75) 1.D97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.29 F 0.26 N 0.14 D 0.13 L 0.07 I 0.05 E 0.02 M 0.01 C Shift Assignments>> CA :: 56.200 CB :: 38.860 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 :: 8.932 HA :: 4.330 HB2 :: 2.880 HB3 :: 2.720 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 :: 120.647 Ave N Shift Values>> N :: 120.65(3.86) 1.N98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.62 D 0.23 L 0.05 F 0.04 Y 0.03 C Shift Assignments>> CA :: 51.640 CB :: 39.340 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 :: 8.614 HA :: 4.750 HB2 :: 3.130 HB3 :: 2.620 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 116.362 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.G99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.92 L 0.06 HN Overlap>> 1.G75 1.G75 C Shift Assignments>> CA :: 46.300 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.811 HA2 :: 3.870 HA3 :: 4.120 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.794 Ave N Shift Values>> N :: 109.67(3.87) 1.N100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.54 D 0.21 F 0.08 Y 0.08 L 0.06 C Shift Assignments>> CA :: 53.210 CB :: 38.970 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 :: 8.416 HA :: 4.690 HB2 :: 3.030 HB3 :: 2.690 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 :: 118.972 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.E101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.62 M 0.33 I 0.02 C Shift Assignments>> CA :: 57.020 CB :: 31.970 CG :: 37.330 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.730 HA :: 4.790 HB2 :: 2.030 HB3 :: 2.030 HG2 :: 2.420 HG3 :: 2.240 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.642 Ave N Shift Values>> N :: 120.67(3.48) 1.L102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.07 R 0.03 C Shift Assignments>> CA :: 55.260 CB :: 45.870 CG :: 29.060 CD1 :: 26.370 CD2 :: 26.130 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 :: 8.908 HA :: 5.200 HB2 :: 1.780 HB3 :: 1.480 HG :: 1.840 HD11 :: 1.100 HD12 :: 1.100 HD13 :: 1.100 HD21 :: 0.930 HD22 :: 0.930 HD23 :: 0.930 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 :: 125.033 Ave N Shift Values>> N :: 121.86(3.9) 1.N103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.37 L 0.26 N 0.11 K 0.09 R 0.05 F 0.04 Y 0.02 G 0.01 C Shift Assignments>> CA :: 52.150 CB :: 41.970 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 :: 8.452 HA :: 5.670 HB2 :: 2.850 HB3 :: 2.580 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 :: 123.919 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.T104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 HN Overlap>> 1.G44 1.G44 C Shift Assignments>> CA :: 58.550 CB :: 70.450 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 :: 9.050 HA :: 5.530 HB :: 3.940 HG21 :: 1.060 HG22 :: 1.060 HG23 :: 1.060 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 117.100 Ave N Shift Values>> N :: 115.42(4.75) 1.V105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.94 I 0.04 C Shift Assignments>> CA :: 61.070 CB :: 36.290 CG1 :: 21.810 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>> HA :: 5.290 HB :: 2.000 HG11 :: 0.950 HG12 :: 0.950 HG13 :: 0.950 HG21 :: 0.950 HG22 :: 0.950 HG23 :: 0.950 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) 1.R106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.62 R 0.33 G 0.03 C Shift Assignments>> CA :: 54.890 CB :: 33.890 CG :: 27.860 CD :: 42.440 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 :: 9.466 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 :: 124.249 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.E107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.71 E 0.24 Q 0.04 C Shift Assignments>> CA :: 54.810 CB :: 33.800 CG :: 35.700 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.605 HA :: 4.960 HB2 :: 2.030 HB3 :: 1.830 HG2 :: 2.140 HG3 :: 2.140 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 :: 120.784 Ave N Shift Values>> N :: 120.67(3.48) 1.I108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> CA :: 59.050 CB :: 36.670 CG1 :: 26.820 CG2 :: 17.160 CD1 :: 12.220 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 :: 8.732 HA :: 4.780 HB :: 1.660 HG12 :: 0.670 HG13 :: 0.670 HG21 :: 0.740 HG22 :: 0.740 HG23 :: 0.740 HD11 :: 0.310 HD12 :: 0.310 HD13 :: 0.310 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 :: 124.182 Ave N Shift Values>> N :: 121.46(4.28) 1.I109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> CA :: 61.100 CB :: 39.290 CG1 :: 27.180 CG2 :: 17.030 CD1 :: 12.650 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 :: 8.903 HA :: 4.250 HB :: 1.690 HG12 :: 1.360 HG13 :: 1.360 HG21 :: 0.830 HG22 :: 0.830 HG23 :: 0.830 HD11 :: 0.770 HD12 :: 0.770 HD13 :: 0.770 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 :: 129.631 Ave N Shift Values>> N :: 121.46(4.28) 1.G110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.85 A 0.06 L 0.04 N 0.01 C Shift Assignments>> CA :: 47.690 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.123 HA2 :: 3.670 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 :: 119.473 Ave N Shift Values>> N :: 109.67(3.87) 1.D111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 L 0.25 K 0.14 N 0.08 F 0.08 Y 0.06 R 0.03 C Shift Assignments>> CA :: 54.100 CB :: 41.490 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 :: 8.699 HA :: 4.750 HB2 :: 2.900 HB3 :: 2.820 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 123.998 Ave N Shift Values>> N :: 120.65(3.86) 1.E112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.54 E 0.44 C Shift Assignments>> CA :: 55.560 CB :: 33.200 CG :: 37.560 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 :: 7.924 HA :: 5.150 HB2 :: 2.010 HB3 :: 2.010 HG2 :: 2.520 HG3 :: 2.250 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 :: 118.194 Ave N Shift Values>> N :: 120.67(3.48) 1.L113 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.95 R 0.01 G 0.01 A 0.01 C Shift Assignments>> CA :: 54.140 CB :: 42.180 CG :: 27.290 CD1 :: 24.300 CD2 :: 24.301 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 :: 7.851 HA :: 4.400 HB2 :: 0.670 HB3 :: -0.817(S) HG :: 0.780 HD11 :: -0.434(S) HD12 :: -0.434(S) HD13 :: -0.434(S) HD21 :: 0.029 HD22 :: 0.029 HD23 :: 0.029 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 :: 123.501 Ave N Shift Values>> N :: 121.86(3.9) 1.V114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> CA :: 62.290 CB :: 33.430 CG1 :: 21.510 CG2 :: 20.980 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.357 HA :: 4.520 HB :: 2.010 HG11 :: 0.960 HG12 :: 0.960 HG13 :: 0.960 HG21 :: 0.840 HG22 :: 0.840 HG23 :: 0.840 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 :: 127.898 Ave N Shift Values>> N :: 121.14(4.54) 1.Q115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.43 K 0.27 M 0.23 E 0.03 R 0.01 C Shift Assignments>> CA :: 53.930 CB :: 30.060 CG :: 33.380 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 :: 9.552 HA :: 5.710 HB2 :: 1.960 HB3 :: 1.960 HG2 :: 1.970 HG3 :: 1.970 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 :: 130.218 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.T116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> CA :: 61.800 CB :: 70.470 CG2 :: 21.800 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 :: 8.832 HA :: 5.080 HB :: 3.890 HG21 :: 1.190 HG22 :: 1.190 HG23 :: 1.190 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 :: 121.078 Ave N Shift Values>> N :: 115.42(4.75) 1.Y117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.98 G 0.01 C Shift Assignments>> CA :: 56.430 CB :: 42.110 CD1 :: 132.390 CD2 :: 132.390 CE1 :: 117.690 CE2 :: 117.690 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 :: 9.440 HA :: 4.950 HB2 :: 2.250 HB3 :: 1.850 HD1 :: 6.570 HD2 :: 6.310 HE1 :: 6.320 HE2 :: 6.060 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 :: 125.712 Ave N Shift Values>> N :: 120.52(4.2) 1.V118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> CA :: 62.170 CB :: 34.810 CG1 :: 21.280 CG2 :: 20.980 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.026 HA :: 5.350 HB :: 2.050 HG21 :: 0.930 HG22 :: 0.930 HG23 :: 0.930 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 120.314 Ave N Shift Values>> N :: 121.14(4.54) 1.Y119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.71 G 0.28 HN Overlap>> 1.F47 1.F47 C Shift Assignments>> CA :: 58.170 CB :: 43.490 CD1 :: 133.600 CD2 :: 133.600 CE1 :: 118.630 CE2 :: 118.630 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 :: 9.041 HA :: 4.940 HB2 :: 3.200 HB3 :: 2.690 HD1 :: 7.150 HD2 :: 6.890 HE1 :: 6.700 HE2 :: 6.440 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 :: 127.564 Ave N Shift Values>> N :: 120.52(4.2) 1.E120 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> Q 0.34 K 0.29 E 0.27 R 0.04 I 0.02 M 0.01 C Shift Assignments>> CA :: 56.140 CB :: 28.400 CG :: 34.990 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 :: 9.509 HA :: 3.430 HB2 :: 1.940 HB3 :: 1.370 HG2 :: 1.430(S) HG3 :: 0.890(S) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 125.533 Ave N Shift Values>> N :: 120.67(3.48) 1.G121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.08 C Shift Assignments>> CA :: 45.480 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.374 HA2 :: 3.510 HA3 :: 4.070 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 102.076 Ave N Shift Values>> N :: 109.67(3.87) 1.V122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> CA :: 62.660 CB :: 32.980 CG1 :: 21.610 CG2 :: 21.490 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 :: 8.371 HA :: 4.190 HB :: 2.400 HG11 :: 0.960 HG12 :: 0.960 HG13 :: 0.960 HG21 :: 0.960 HG22 :: 0.960 HG23 :: 0.960 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 123.797 Ave N Shift Values>> N :: 121.14(4.54) 1.E123 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> M 0.62 E 0.36 Q 0.01 C Shift Assignments>> CA :: 54.010 CB :: 32.850 CG :: 36.900 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 :: 8.511 HA :: 5.670(S) HB2 :: 1.980 HB3 :: 1.980 HG2 :: 2.220 HG3 :: 2.040 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 126.257 Ave N Shift Values>> N :: 120.67(3.48) 1.A124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.72 K 0.14 A 0.1 R 0.01 C Shift Assignments>> CA :: 50.860 CB :: 24.060 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.258 HA :: 5.150 HB1 :: 1.330 HB2 :: 1.330 HB3 :: 1.330 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.354 Ave N Shift Values>> N :: 123.23(3.54) 1.K125 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.78 K 0.16 G 0.04 C Shift Assignments>> CA :: 55.130 CB :: 38.130 CG :: 25.240 CD :: 29.690 CE :: 42.160 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.847 HA :: 5.760(S) HB2 :: 1.560 HB3 :: 1.560 HG2 :: 1.400 HG3 :: 1.400 HD2 :: 1.500 HD3 :: 1.500 HE2 :: 2.820 HE3 :: 2.820 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 :: 115.989 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.R126 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.58 K 0.29 G 0.11 HN Overlap>> 1.T39 1.T39 C Shift Assignments>> CA :: 56.940 CB :: 34.040 CG :: 26.730 CD :: 43.130 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 :: 9.241 HA :: 4.750 HB2 :: 1.770 HB3 :: 1.350 HG2 :: 1.420 HG3 :: 1.010 HD2 :: 2.330(S) HD3 :: 2.100(S) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 120.557 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.I127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> CA :: 61.670 CB :: 40.200 CG1 :: 29.940 CG2 :: 19.460 CD1 :: 14.430 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 :: 8.785 HA :: 5.020 HB :: 1.640 HG12 :: 1.380 HG13 :: 1.180 HG21 :: 0.920 HG22 :: 0.920 HG23 :: 0.920 HD11 :: 0.800 HD12 :: 0.800 HD13 :: 0.800 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 :: 122.970 Ave N Shift Values>> N :: 121.46(4.28) 1.F128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.52 Y 0.43 G 0.03 C Shift Assignments>> CA :: 56.050 CB :: 42.730 CD1 :: 132.180 CD2 :: 132.180 CE1 :: 131.040 CE2 :: 131.040 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 :: 10.070 HA :: 5.260 HB2 :: 3.280 HB3 :: 3.120 HD1 :: 6.990 HD2 :: 7.250 HE1 :: 6.880 HE2 :: 7.130 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 :: 126.381 Ave N Shift Values>> N :: 120.45(4.18) 1.K129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.8 K 0.16 G 0.02 C Shift Assignments>> CA :: 54.740 CB :: 37.070 CG :: 26.280 CD :: 29.570 CE :: 42.200 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 :: 8.866 HA :: 5.310 HB2 :: 2.110 HB3 :: 1.910 HG2 :: 1.730 HG3 :: 1.490 HD2 :: 1.770 HD3 :: 1.770 HE2 :: 3.060 HE3 :: 3.060 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 118.294 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.58 R 0.38 G 0.02 C Shift Assignments>> CA :: 57.790 CB :: 33.020 CG :: 25.630 CD :: 29.560 CE :: 42.580 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 9.057 HA :: 4.090 HB2 :: 1.480 HB3 :: 1.480 HG2 :: 1.050 HG3 :: 0.640 HD2 :: 1.380 HD3 :: 1.310 HE2 :: 2.810 HE3 :: 2.690 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 :: 123.147 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.33 R 0.25 L 0.25 F 0.07 Y 0.04 D 0.02 C Shift Assignments>> CA :: 57.560 CB :: 44.380 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 :: 8.135 HA :: 4.500 HB2 :: 2.230 HB3 :: 2.380 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 :: 129.373 Ave N Shift Values>> N :: 120.65(3.86) 2.KET1 Overall Status: Residue type KET not supported. ########################################################################### Overall Results: #Consistent: 120 #Clerical: 0 #Suspicious: 11 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 126 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 5 Shift Relative Order (SRO) Results: #Consistent: 131 #Suspicious: 0 C Shift Results: #Consistent: 433 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 H Shift Results: #Consistent: 811 #Duplicate: 0 #Unknown: 0 #Suspicious: 19 #Anomalous: 0 N Shift Results: #Consistent: 126 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.S4 HB3 = 2.500(S), Expected = 3.85, Std = 0.2700, ChiSquare = 5.7330e-07 1.D9 CB = 46.830(S), Expected = 40.88, Std = 1.6200, ChiSquare = 2.3987e-04 1.F47 HB2 = 1.570(S), Expected = 3.00, Std = 0.3700, ChiSquare = 1.1115e-04 1.F47 HB3 = 1.110(S), Expected = 2.93, Std = 0.4000, ChiSquare = 5.3646e-06 1.L89 HD11 = -0.512(S), Expected = 0.75, Std = 0.2800, ChiSquare = 6.5706e-06 1.L89 HD12 = -0.512(S), Expected = 0.75, Std = 0.2800, ChiSquare = 6.5706e-06 1.L89 HD13 = -0.512(S), Expected = 0.75, Std = 0.2800, ChiSquare = 6.5706e-06 1.G91 HA2 = 2.090(S), Expected = 3.97, Std = 0.3700, ChiSquare = 3.7529e-07 1.F93 HE1 = 5.740(S), Expected = 7.08, Std = 0.3100, ChiSquare = 1.5421e-05 1.F93 HE2 = 6.000(S), Expected = 7.08, Std = 0.3200, ChiSquare = 7.3816e-04 1.L113 HB3 = -0.817(S), Expected = 1.52, Std = 0.3600, ChiSquare = 8.4892e-11 1.L113 HD11 = -0.434(S), Expected = 0.75, Std = 0.2800, ChiSquare = 2.3518e-05 1.L113 HD12 = -0.434(S), Expected = 0.75, Std = 0.2800, ChiSquare = 2.3518e-05 1.L113 HD13 = -0.434(S), Expected = 0.75, Std = 0.2800, ChiSquare = 2.3518e-05 1.E120 HG2 = 1.430(S), Expected = 2.27, Std = 0.2100, ChiSquare = 6.3342e-05 1.E120 HG3 = 0.890(S), Expected = 2.25, Std = 0.2200, ChiSquare = 6.3367e-10 1.E123 HA = 5.670(S), Expected = 4.25, Std = 0.4100, ChiSquare = 5.3337e-04 1.K125 HA = 5.760(S), Expected = 4.27, Std = 0.4400, ChiSquare = 7.0825e-04 1.R126 HD2 = 2.330(S), Expected = 3.12, Std = 0.2400, ChiSquare = 9.9596e-04 1.R126 HD3 = 2.100(S), Expected = 3.10, Std = 0.2600, ChiSquare = 1.1999e-04