Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.M2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> E 0.4 C 0.3 M 0.1 Q 0.09 K 0.08 I 0.01 C Shift Assignments>> C :: 175.806 CA :: 55.017 CB :: 36.065 CG :: 29.999 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 :: 4.738 HB2 :: 1.988 HB3 :: 1.981 HG2 :: 2.524 HG3 :: 2.524 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.T3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.67 C 0.31 C Shift Assignments>> C :: 175.189 CA :: 60.157 CB :: 71.276 CG2 :: 19.500 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 :: 8.750 HA :: 4.480 HB :: 4.699 HG21 :: 1.276 HG22 :: 1.276 HG23 :: 1.276 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 :: 115.411 Ave N Shift Values>> N :: 115.42(4.75) 1.E4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 Q 0.24 K 0.21 E 0.11 M 0.04 I 0.02 R 0.01 C Shift Assignments>> C :: 178.387 CA :: 59.129 CB :: 29.554 CG :: 34.146 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 :: 9.002 HA :: 3.930 HB2 :: 2.004 HB3 :: 2.004 HG2 :: 2.256 HG3 :: 2.256 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 :: 121.891 Ave N Shift Values>> N :: 120.67(3.48) 1.D5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.19 D 0.17 F 0.17 K 0.15 Y 0.14 C 0.07 N 0.02 I 0.01 R 0.01 HN Overlap>> 1.T12 1.T12 C Shift Assignments>> CA :: 56.387 CB :: 41.12 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 :: 8.246 HA :: 4.389 HB2 :: 2.500 HB3 :: 2.500 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 :: 117.649 Ave N Shift Values>> N :: 120.65(3.86) 1.Q6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 K 0.3 R 0.14 Q 0.12 M 0.07 C Shift Assignments>> C :: 175.737 CA :: 58.187 CB :: 28.869 CG :: 32.000 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 :: 7.631 HA :: 3.534 HB2 :: 1.721 HB3 :: 2.151 HG2 :: 2.209 HG3 :: 2.215 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 :: 121.437 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.K7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.99 C Shift Assignments>> C :: 177.779 CA :: 60.414 CB :: 32.724 CG :: 22.837 CD :: 27.500 CE :: 39.380 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 :: 8.055 HA :: 3.690 HB2 :: 1.761 HB3 :: 1.751 HG2 :: 1.361 HG3 :: 1.363 HD2 :: 1.752 HD3 :: 1.752 HE2 :: 3.045 HE3 :: 3.035 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 :: 118.498 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.F8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.97 F 0.02 C Shift Assignments>> C :: 178.412 CA :: 60.5 CB :: 39.064 CD1 :: 128.929 CD2 :: 128.929 CE1 :: 128.400 CE2 :: 128.400 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 :: 8.145 HA :: 4.202 HB2 :: 3.086 HB3 :: 3.183 HD1 :: 7.224 HD2 :: 7.224 HE1 :: 7.230 HE2 :: 7.224 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 :: 116.8 Ave N Shift Values>> N :: 120.45(4.18) 1.K9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.99 C Shift Assignments>> C :: 179.532 CA :: 59.129 CB :: 32.296 CG :: 22.089 CD :: 27.323 CE :: 39.493 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 :: 7.909 HA :: 3.920 HB2 :: 1.791 HB3 :: 1.791 HG2 :: 1.390 HG3 :: 1.390 HD2 :: 1.436 HD3 :: 1.436 HE2 :: 2.824 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 :: 123.058 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Y10 Overall: Suspicious Typing: Suspicious SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.99 HN Overlap>> 1.I41 1.L37 1.I41 1.L37 C Shift Assignments>> C :: 178.478 CA :: 58.015 CB :: 37.95 CD1 :: 128.900(S) CD2 :: 128.900 CE1 :: 115.400 CE2 :: 115.400 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 :: 8.260 HA :: 4.749 HB2 :: 3.110 HB3 :: 3.120 HD1 :: 6.925 HD2 :: 6.925 HE1 :: 6.678 HE2 :: 6.672 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 119.867 Ave N Shift Values>> N :: 120.52(4.2) 1.L11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.85 A 0.13 C Shift Assignments>> C :: 179.506 CA :: 57.673 CB :: 41.291 CG :: 24.5 CD1 :: 19.940 CD2 :: 19.973 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 :: 8.859 HA :: 4.080 HB2 :: 1.501 HB3 :: 1.851 HG :: 1.505 HD11 :: 0.869 HD12 :: 0.869 HD13 :: 0.869 HD21 :: 0.869 HD22 :: 0.869 HD23 :: 0.869 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 :: 119.472 Ave N Shift Values>> N :: 121.86(3.9) 1.T12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.92 C 0.07 HN Overlap>> 1.D5 1.D5 C Shift Assignments>> C :: 175.806 CA :: 66.24 CB :: 68.963 CG2 :: 19.116 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 :: 8.216 HA :: 3.818 HB :: 4.022 HG21 :: 1.079 HG22 :: 1.079 HG23 :: 1.079 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 :: 117.547 Ave N Shift Values>> N :: 115.42(4.75) 1.K13 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.96 A 0.01 V 0.01 C Shift Assignments>> C :: 178.25 CA :: 57.844 CB :: 31.702 CG :: 21.902 CD :: 26.202 CE :: 39.5 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 :: 7.457 HA :: 4.060 HB2 :: 1.841 HB3 :: 1.841 HG2 :: 0.859 HG3 :: 0.859 HD2 :: 1.805 HD3 :: 1.799 HE2 :: 2.383 HE3 :: 2.388 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 :: 122.988 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.62 C 0.37 C Shift Assignments>> C :: 176.56 CA :: 65.212 CB :: 37.95 CG1 :: 27.790 CG2 :: 14.706 CD1 :: 11.020 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 :: 8.133 HA :: 3.486 HB :: 2.071 HG12 :: 1.158 HG13 :: 1.158 HG21 :: 0.869 HG22 :: 0.869 HG23 :: 0.869 HD11 :: 0.757 HD12 :: 0.757 HD13 :: 0.757 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 :: 119.42 Ave N Shift Values>> N :: 121.46(4.28) 1.E15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 Q 0.25 K 0.22 E 0.1 M 0.04 I 0.01 R 0.01 HN Overlap>> 1.E71 1.E71 C Shift Assignments>> C :: 179.278 CA :: 58.872 CB :: 29.64 CG :: 34.053 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 :: 7.997 HA :: 4.080 HB2 :: 1.961 HB3 :: 2.191 HG2 :: 2.373 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 :: 119.983 Ave N Shift Values>> N :: 120.67(3.48) 1.E16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 Q 0.26 K 0.24 M 0.07 E 0.05 R 0.01 C Shift Assignments>> C :: 179.506 CA :: 58.786 CB :: 29.811 CG :: 33.492 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 :: 7.760 HA :: 4.000 HB2 :: 2.021 HB3 :: 2.191 HG2 :: 2.430 HG3 :: 2.430 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 :: 120.794 Ave N Shift Values>> N :: 120.67(3.48) 1.L17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.7 A 0.21 G 0.06 L 0.01 C Shift Assignments>> C :: 179.821 CA :: 56.816 CB :: 42.405 CG :: 23.865 CD1 :: 21.000 CD2 :: 21.001 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 :: 8.202 HA :: 4.023 HB2 :: 1.922 HB3 :: 1.922 HG :: 1.521 HD11 :: 0.853 HD12 :: 0.853 HD13 :: 0.853 HD21 :: 0.853 HD22 :: 0.853 HD23 :: 0.853 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 121.621 Ave N Shift Values>> N :: 121.86(3.9) 1.E18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 Q 0.23 M 0.14 K 0.12 E 0.1 C Shift Assignments>> C :: 177.816 CA :: 58.872 CB :: 30.582 CG :: 33.959 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 :: 8.689 HA :: 3.770 HB2 :: 2.167 HB3 :: 1.938 HG2 :: 2.146 HG3 :: 2.152 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 :: 120.455 Ave N Shift Values>> N :: 120.67(3.48) 1.A19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.78 M 0.19 C 0.01 C Shift Assignments>> C :: 179.212 CA :: 53.218 CB :: 18.759 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.764 HA :: 4.229 HB1 :: 1.481 HB2 :: 1.481 HB3 :: 1.481 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.463 Ave N Shift Values>> N :: 123.23(3.54) 1.G20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.82 L 0.1 C 0.02 R 0.01 F 0.01 C Shift Assignments>> C :: 174.655 CA :: 45.25 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.772 HA2 :: 3.930 HA3 :: 3.930 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.07 Ave N Shift Values>> N :: 109.67(3.87) 1.C21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.29 C 0.21 R 0.12 W 0.09 Q 0.05 E 0.04 K 0.04 H 0.04 P 0.03 L 0.03 C Shift Assignments>> C :: 174.635 CA :: 60.071 CB :: 27.412 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.781 HA :: 4.259 HB2 :: 2.713 HB3 :: 2.713 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 :: 119.316 Ave N Shift Values>> N :: 120.17(4.64) 1.F22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.95 F 0.04 HN Overlap>> 1.D73 1.I30 1.D73 1.I30 C Shift Assignments>> C :: 176.08 CA :: 57.33 CB :: 39.064 CD1 :: 128.900 CD2 :: 128.900 CE1 :: 129.000 CE2 :: 129.000 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 :: 8.049 HA :: 4.606 HB2 :: 3.020 HB3 :: 3.230 HD1 :: 7.198 HD2 :: 7.198 HE1 :: 7.198 HE2 :: 7.193 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 :: 120.189 Ave N Shift Values>> N :: 120.45(4.18) 1.S23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.001 CA :: 58.701 CB :: 64.08 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.024 HA :: 4.338 HB2 :: 3.820 HB3 :: 3.830 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 :: 115.616 Ave N Shift Values>> N :: 116.28(3.52) 1.D24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.33 L 0.25 K 0.12 N 0.09 F 0.06 C 0.04 Y 0.04 R 0.03 C Shift Assignments>> C :: 175.654 CA :: 53.475 CB :: 41.634 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 :: 8.020 HA :: 4.685 HB2 :: 2.748 HB3 :: 2.748 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 :: 121.122 Ave N Shift Values>> N :: 120.65(3.86) 1.W25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.94 W 0.05 C Shift Assignments>> C :: 175.989 CA :: 58.187 CB :: 29.57 CD1 :: 124.400 CZ2 :: 111.900 CZ3 :: 118.430 CH2 :: 121.400 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 :: 8.085 HA :: 4.590 HB2 :: 3.350 HB3 :: 3.350 HD1 :: 7.273 HE1 :: 10.070 HE3 :: 7.009 HZ2 :: 7.344 HZ3 :: 6.993 HH2 :: 7.025 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 :: 122.445 NE1 :: 129.600 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.T26 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.89 T 0.09 C Shift Assignments>> C :: 173.978 CA :: 60.842 CB :: 70.163 CG2 :: 17.510(S) 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 :: 7.987 HA :: 4.228 HB :: 4.060 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 :: 112.095 Ave N Shift Values>> N :: 115.42(4.75) 1.K27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.92 A 0.07 C Shift Assignments>> C :: 176.354 CA :: 55.873 CB :: 33.152 CG :: 22.500 CD :: 26.556 CE :: 39.286 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 :: 7.936 HA :: 4.259 HB2 :: 1.781 HB3 :: 1.891 HG2 :: 1.340 HG3 :: 1.342 HD2 :: 1.610 HD3 :: 1.610 HE2 :: 2.934 HE3 :: 2.940 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 :: 123.473 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.27 C 0.25 Q 0.24 E 0.15 K 0.07 C Shift Assignments>> C :: 175.67 CA :: 55.531 CB :: 30.925 CG :: 34.520 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 :: 8.051 HA :: 4.209 HB2 :: 1.881 HB3 :: 1.891 HG2 :: 2.209 HG3 :: 2.215 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 :: 120.38 Ave N Shift Values>> N :: 120.67(3.48) 1.D29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 L 0.21 N 0.11 F 0.1 K 0.09 Y 0.07 C 0.05 R 0.01 C Shift Assignments>> C :: 177.413 CA :: 54.331 CB :: 41.034 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 :: 8.580 HA :: 4.589 HB2 :: 2.751 HB3 :: 2.745 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 :: 121.637 Ave N Shift Values>> N :: 120.65(3.86) 1.I30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.81 I 0.18 HN Overlap>> 1.D73 1.D73 1.F22 1.F22 C Shift Assignments>> C :: 176.08 CA :: 60.757 CB :: 38.892 CG1 :: 23.398 CG2 :: 15.521 CD1 :: 12.482 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 :: 7.970 HA :: 4.685 HB :: 2.341 HG12 :: 1.184 HG13 :: 1.190 HG21 :: 0.880 HG22 :: 0.880 HG23 :: 0.880 HD11 :: 0.882 HD12 :: 0.882 HD13 :: 0.882 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 :: 120.252 Ave N Shift Values>> N :: 121.46(4.28) 1.T31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.95 C 0.04 C Shift Assignments>> C :: 176.994 CA :: 66.325 CB :: 68.963 CG2 :: 19.566 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 :: 8.553 HA :: 3.820 HB :: 4.219 HG21 :: 1.350 HG22 :: 1.350 HG23 :: 1.350 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 :: 117.72 Ave N Shift Values>> N :: 115.42(4.75) 1.G32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.05 C 0.05 C Shift Assignments>> C :: 174.709 CA :: 46.707 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.510 HA2 :: 3.920 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 :: 110.883 Ave N Shift Values>> N :: 109.67(3.87) 1.D33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.23 L 0.22 K 0.18 F 0.11 D 0.08 Y 0.07 C 0.06 G 0.01 C Shift Assignments>> C :: 178.27 CA :: 56.987 CB :: 42.662 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 :: 7.756 HA :: 4.599 HB2 :: 2.611 HB3 :: 2.611 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 :: 119.716 Ave N Shift Values>> N :: 120.65(3.86) 1.L34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.77 A 0.11 G 0.06 L 0.04 C Shift Assignments>> C :: 178.013 CA :: 57.158 CB :: 42.405 CG :: 24.010 CD1 :: 21.500 CD2 :: 21.500 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 :: 8.502 HA :: 3.920 HB2 :: 1.390 HB3 :: 1.920 HG :: 1.866 HD11 :: 0.865 HD12 :: 0.865 HD13 :: 0.865 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 :: 117.156 Ave N Shift Values>> N :: 121.86(3.9) 1.K35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.98 C Shift Assignments>> C :: 178.41 CA :: 58.786 CB :: 31.953 CG :: 21.500 CD :: 27.543 CE :: 39.493 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 :: 7.557 HA :: 3.944 HB2 :: 1.721 HB3 :: 1.721 HG2 :: 1.405 HG3 :: 1.406 HD2 :: 1.400 HD3 :: 1.405 HE2 :: 2.840 HE3 :: 2.846 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 :: 118.157 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Y36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.99 C Shift Assignments>> C :: 176.854 CA :: 61.613 CB :: 38.464 CD1 :: 130.426 CD2 :: 130.428 CE1 :: 114.440 CE2 :: 114.440 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 :: 6.770 HA :: 3.500 HB2 :: 2.136 HB3 :: 2.136 HD1 :: 6.562 HD2 :: 6.562 HE1 :: 6.221 HE2 :: 6.215 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 :: 118.991 Ave N Shift Values>> N :: 120.52(4.2) 1.L37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.68 A 0.22 G 0.05 L 0.02 HN Overlap>> 1.Y10 1.Y10 C Shift Assignments>> C :: 177.017 CA :: 56.673 CB :: 42.405 CG :: 24.239 CD1 :: 20.968 CD2 :: 21.001 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 :: 8.183 HA :: 4.007 HB2 :: 1.931 HB3 :: 1.925 HG :: 1.530 HD11 :: 0.827 HD12 :: 0.827 HD13 :: 0.827 HD21 :: 0.805 HD22 :: 0.805 HD23 :: 0.805 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 :: 119.83 Ave N Shift Values>> N :: 121.86(3.9) 1.K38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.85 K 0.1 R 0.03 C Shift Assignments>> C :: 176.993 CA :: 60.328 CB :: 32.724 CG :: 23.500 CD :: 26.856 CE :: 40.900 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 :: 8.702 HA :: 3.548 HB2 :: 1.736 HB3 :: 1.736 HG2 :: 1.367 HG3 :: 1.373 HD2 :: 1.710 HD3 :: 1.710 HE2 :: 3.045 HE3 :: 3.051 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 :: 118.759 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.98 C Shift Assignments>> C :: 177.085 CA :: 58.529 CB :: 33.067 CG :: 22.013 CD :: 27.417 CE :: 39.567 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 :: 6.855 HA :: 3.940 HB2 :: 1.701 HB3 :: 1.701 HG2 :: 1.389 HG3 :: 1.395 HD2 :: 1.470 HD3 :: 1.410 HE2 :: 2.840 HE3 :: 2.846 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 :: 117.624 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 C 0.08 L 0.04 A 0.02 P 0.02 C Shift Assignments>> C :: 174.046 CA :: 47.478 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.151 HA2 :: 3.429 HA3 :: 3.760 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.041 Ave N Shift Values>> N :: 109.67(3.87) 1.I41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.67 I 0.32 HN Overlap>> 1.Y10 1.Y10 C Shift Assignments>> C :: 177.268 CA :: 63.156 CB :: 37.57 CG1 :: 25.547 CG2 :: 15.547 CD1 :: 9.939 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 :: 8.308 HA :: 3.729 HB :: 2.011 HG12 :: 1.410 HG13 :: 1.410 HG21 :: 0.869 HG22 :: 0.869 HG23 :: 0.869 HD11 :: 0.585 HD12 :: 0.585 HD13 :: 0.585 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 :: 119.834 Ave N Shift Values>> N :: 121.46(4.28) 1.I42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.61 C 0.38 C Shift Assignments>> C :: 178.692 CA :: 65.811 CB :: 38.635 CG1 :: 27.697 CG2 :: 14.425 CD1 :: 11.154 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 :: 8.454 HA :: 3.461 HB :: 1.831 HG12 :: 1.105 HG13 :: 1.111 HG21 :: 0.916 HG22 :: 0.916 HG23 :: 0.916 HD11 :: 0.803 HD12 :: 0.803 HD13 :: 0.803 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 :: 119.488 Ave N Shift Values>> N :: 121.46(4.28) 1.E43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.33 K 0.26 C 0.23 R 0.07 E 0.06 M 0.02 C Shift Assignments>> CA :: 55.102 CB :: 28.355 CG :: 34.001 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 :: 8.389 HA :: 4.209 HB2 :: 1.701 HB3 :: 2.171 HG2 :: 2.373 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 :: 115.525 Ave N Shift Values>> N :: 120.67(3.48) 1.E44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 Q 0.29 K 0.14 R 0.11 E 0.07 I 0.01 C Shift Assignments>> C :: 174.435 CA :: 56.559 CB :: 27.241 CG :: 34.333 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 :: 7.554 HA :: 3.500 HB2 :: 2.121 HB3 :: 2.121 HG2 :: 2.309 HG3 :: 2.309 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 :: 120.636 Ave N Shift Values>> N :: 120.67(3.48) 1.S45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.846 CA :: 54.674 CB :: 63.48 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.063 HA :: 3.760 HB2 :: 3.720 HB3 :: 3.720 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 114.225 Ave N Shift Values>> N :: 116.28(3.52) 1.I46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 I 0.49 C Shift Assignments>> C :: 176.697 CA :: 62.299 CB :: 38.036 CG1 :: 26.295 CG2 :: 15.500 CD1 :: 10.593 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 :: 8.725 HA :: 3.739 HB :: 1.791 HG12 :: 1.357 HG13 :: 1.363 HG21 :: 0.884 HG22 :: 0.884 HG23 :: 0.884 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 :: 129.672 Ave N Shift Values>> N :: 121.46(4.28) 1.E47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 Q 0.24 K 0.22 M 0.07 E 0.04 R 0.01 I 0.01 HN Overlap>> 1.D63 1.D63 C Shift Assignments>> C :: 179.758 CA :: 59.3 CB :: 29.982 CG :: 33.398 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 :: 8.707 HA :: 3.960 HB2 :: 1.689 HB3 :: 1.861 HG2 :: 2.183 HG3 :: 2.183 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 :: 121.271 Ave N Shift Values>> N :: 120.67(3.48) 1.L48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.72 L 0.16 A 0.06 G 0.04 C Shift Assignments>> C :: 177.693 CA :: 57.416 CB :: 42.47 CG :: 26.015 CD1 :: 21.248 CD2 :: 21.258 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 :: 7.717 HA :: 3.950 HB2 :: 1.361 HB3 :: 1.701 HG :: 1.546 HD11 :: 0.764 HD12 :: 0.764 HD13 :: 0.764 HD21 :: 0.764 HD22 :: 0.764 HD23 :: 0.764 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 :: 120.075 Ave N Shift Values>> N :: 121.86(3.9) 1.I49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.69 I 0.3 C Shift Assignments>> C :: 177.565 CA :: 65.726 CB :: 38.721 CG1 :: 26.502 CG2 :: 13.678 CD1 :: 10.967 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 :: 7.551 HA :: 3.260 HB :: 1.611 HG12 :: 1.710 HG13 :: 1.710 HG21 :: 0.506 HG22 :: 0.506 HG23 :: 0.506 HD11 :: 0.443 HD12 :: 0.443 HD13 :: 0.443 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 :: 118.913 Ave N Shift Values>> N :: 121.46(4.28) 1.R50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.72 K 0.22 R 0.05 C Shift Assignments>> C :: 178.821 CA :: 59.215 CB :: 30.668 CG :: 26.010 CD :: 40.875 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 :: 8.705 HA :: 3.723 HB2 :: 1.757 HB3 :: 1.761 HG2 :: 1.395 HG3 :: 1.395 HD2 :: 3.051 HD3 :: 3.051 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 :: 117.292 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.A51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.5 M 0.42 C 0.03 I 0.02 C Shift Assignments>> C :: 178.067 CA :: 55.017 CB :: 18.674 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.957 HA :: 3.930 HB1 :: 1.591 HB2 :: 1.591 HB3 :: 1.591 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.788 Ave N Shift Values>> N :: 123.23(3.54) 1.V52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.62 V 0.37 C Shift Assignments>> C :: 177.373 CA :: 64.441 CB :: 31.867 CG1 :: 18.688 CG2 :: 18.725 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 :: 7.974 HA :: 4.180 HB :: 2.031 HG11 :: 1.137 HG12 :: 1.137 HG13 :: 1.137 HG21 :: 1.142 HG22 :: 1.142 HG23 :: 1.142 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 :: 118.15 Ave N Shift Values>> N :: 121.14(4.54) 1.N53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.21 K 0.18 Y 0.17 L 0.15 D 0.1 C 0.09 I 0.03 R 0.02 N 0.01 C Shift Assignments>> C :: 176.094 CA :: 57.416 CB :: 41.205 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 :: 7.744 HA :: 4.239 HB2 :: 2.401 HB3 :: 2.750 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 :: 116.01 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.G54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 L 0.11 C 0.03 R 0.02 F 0.01 C Shift Assignments>> C :: 174.687 CA :: 45.164 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.850 HA2 :: 3.780 HA3 :: 4.090 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 102.535 Ave N Shift Values>> N :: 109.67(3.87) 1.L55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.63 G 0.24 C 0.12 C Shift Assignments>> C :: 177.353 CA :: 54.074 CB :: 43.947 CG :: 23.524 CD1 :: 22.837 CD2 :: 20.031 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 :: 7.941 HA :: 4.360 HB2 :: 1.351 HB3 :: 0.616 HG :: 1.410 HD11 :: -0.072 HD12 :: -0.072 HD13 :: -0.072 HD21 :: 0.540 HD22 :: 0.540 HD23 :: 0.540 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 :: 118.602 Ave N Shift Values>> N :: 121.86(3.9) 1.T56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.64 C 0.34 C Shift Assignments>> C :: 173.356 CA :: 61.613 CB :: 69.134 CG2 :: 18.725 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 :: 8.009 HA :: 4.180 HB :: 4.038 HG21 :: 1.079 HG22 :: 1.079 HG23 :: 1.079 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 116.145 Ave N Shift Values>> N :: 115.42(4.75) 1.Y57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.98 Y 0.01 C Shift Assignments>> C :: 175.806 CA :: 56.302 CB :: 38.121 CD1 :: 129.928 CD2 :: 129.928 CE1 :: 115.439 CE2 :: 115.439 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 :: 9.363 HA :: 4.689 HB2 :: 2.681 HB3 :: 3.280 HD1 :: 7.135 HD2 :: 7.135 HE1 :: 6.804 HE2 :: 6.798 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 :: 127.356 Ave N Shift Values>> N :: 120.52(4.2) 1.S58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.189 CA :: 55.102 CB :: 64.166 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.976 HA :: 4.685 HB2 :: 3.807 HB3 :: 3.807 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.203 Ave N Shift Values>> N :: 116.28(3.52) 1.E59 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Suspicious PRTL>> C 0.34 Q 0.25 K 0.21 E 0.09 M 0.06 I 0.01 R 0.01 C Shift Assignments>> C :: 177.793 CA :: 58.958 CB :: 29.811 CG :: 33.959 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 :: 9.388 HA :: 4.000 HB2 :: 2.020 HB3 :: 2.031 HG2 :: 2.241 HG3 :: 2.246 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 :: 134.159(S) Ave N Shift Values>> N :: 120.67(3.48) 1.E60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 K 0.27 Q 0.24 R 0.04 E 0.04 M 0.03 I 0.01 C Shift Assignments>> C :: 179.803 CA :: 59.129 CB :: 29.04 CG :: 33.502 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 :: 8.578 HA :: 4.038 HB2 :: 2.051 HB3 :: 2.051 HG2 :: 2.067 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 :: 119.304 Ave N Shift Values>> N :: 120.67(3.48) 1.L61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 L 0.43 A 0.05 C Shift Assignments>> C :: 179.152 CA :: 56.473 CB :: 41.12 CG :: 25.080 CD1 :: 22.537 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 :: 8.370 HA :: 4.385 HB2 :: 1.581 HB3 :: 1.591 HG :: 1.690 HD11 :: 1.060 HD12 :: 1.060 HD13 :: 1.060 HD21 :: 1.058 HD22 :: 1.058 HD23 :: 1.058 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 121.12 Ave N Shift Values>> N :: 121.86(3.9) 1.H62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 W 0.33 H 0.23 C Shift Assignments>> C :: 176.034 CA :: 59.643 CB :: 28.098 CD2 :: 118.940 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 :: 9.035 HA :: 3.980 HB2 :: 3.260 HB3 :: 3.490 HD2 :: 7.545 HE2 :: 7.498 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 :: 123.105 NE2 :: 181.050 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.D63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.26 Y 0.25 D 0.12 C 0.12 L 0.1 I 0.05 N 0.04 K 0.01 HN Overlap>> 1.E47 1.E47 C Shift Assignments>> C :: 178.073 CA :: 56.987 CB :: 39.92 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 :: 8.732 HA :: 4.239 HB2 :: 2.780 HB3 :: 2.780 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 121.308 Ave N Shift Values>> N :: 120.65(3.86) 1.F64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.97 F 0.02 C Shift Assignments>> C :: 176.765 CA :: 58.272 CB :: 39.663 CD1 :: 128.830 CD2 :: 128.830 CE1 :: 128.000 CE2 :: 128.000 CZ :: 128.400 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 :: 8.003 HA :: 4.809 HB2 :: 3.090 HB3 :: 3.537 HD1 :: 7.200 HD2 :: 7.200 HE1 :: 7.214 HE2 :: 7.200 HZ :: 7.120 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 :: 121.315 Ave N Shift Values>> N :: 120.45(4.18) 1.T65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.96 C 0.03 C Shift Assignments>> C :: 175.934 CA :: 64.869 CB :: 69.477 CG2 :: 21.435 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 :: 8.439 HA :: 3.770 HB :: 3.430 HG21 :: 1.137 HG22 :: 1.137 HG23 :: 1.137 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 107.73 Ave N Shift Values>> N :: 115.42(4.75) 1.Q66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 R 0.34 K 0.2 M 0.03 Q 0.01 C Shift Assignments>> C :: 176.993 CA :: 58.101 CB :: 28.183 CG :: 30.500 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 :: 8.095 HA :: 3.660 HB2 :: 1.970 HB3 :: 1.962 HG2 :: 2.200 HG3 :: 2.200 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 :: 123.05 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.E67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.32 K 0.27 Q 0.25 M 0.05 E 0.04 R 0.03 C Shift Assignments>> C :: 178.638 CA :: 58.701 CB :: 29.468 CG :: 33.398 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 :: 7.422 HA :: 3.960 HB2 :: 2.251 HB3 :: 2.241 HG2 :: 2.499 HG3 :: 2.493 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 :: 119.661 Ave N Shift Values>> N :: 120.67(3.48) 1.I68 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.94 I 0.05 C Shift Assignments>> C :: 177.053 CA :: 64.783 CB :: 38.293 CG1 :: 23.500 CG2 :: 14.145 CD1 :: 10.687 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 :: 7.253 HA :: 3.250 HB :: 1.331 HG12 :: 0.837 HG13 :: -0.703(S) HG21 :: 0.291 HG22 :: 0.291 HG23 :: 0.291 HD11 :: -0.387(S) HD12 :: -0.387(S) HD13 :: -0.387(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 :: 119.003 Ave N Shift Values>> N :: 121.46(4.28) 1.I69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.71 I 0.28 C Shift Assignments>> C :: 177.893 CA :: 65.126 CB :: 38.293 CG1 :: 27.790 CG2 :: 14.019 CD1 :: 10.313 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 :: 7.929 HA :: 3.240 HB :: 1.726 HG12 :: 0.569 HG13 :: 0.569 HG21 :: 0.760 HG22 :: 0.760 HG23 :: 0.760 HD11 :: 0.559 HD12 :: 0.559 HD13 :: 0.559 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 :: 118.89 Ave N Shift Values>> N :: 121.46(4.28) 1.E70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 Q 0.27 K 0.23 E 0.1 M 0.06 R 0.01 I 0.01 HN Overlap>> 1.L72 1.L72 C Shift Assignments>> C :: 178.672 CA :: 58.187 CB :: 29.725 CG :: 33.959 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 :: 8.101 HA :: 4.010 HB2 :: 2.036 HB3 :: 2.032 HG2 :: 2.446 HG3 :: 2.451 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 :: 118.304 Ave N Shift Values>> N :: 120.67(3.48) 1.E71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 Q 0.27 K 0.21 E 0.1 M 0.08 R 0.01 HN Overlap>> 1.E15 1.E15 C Shift Assignments>> C :: 177.953 CA :: 58.015 CB :: 29.897 CG :: 33.959 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 :: 7.997 HA :: 4.076 HB2 :: 2.131 HB3 :: 2.211 HG2 :: 2.446 HG3 :: 2.451 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 :: 119.911 Ave N Shift Values>> N :: 120.67(3.48) 1.L72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.59 C 0.32 G 0.07 HN Overlap>> 1.E70 1.E70 C Shift Assignments>> C :: 176.857 CA :: 55.188 CB :: 42.748 CG :: 23.491 CD1 :: 20.687 CD2 :: 20.658 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 :: 8.050 HA :: 4.259 HB2 :: 1.420 HB3 :: 1.691 HG :: 0.700 HD11 :: 0.811 HD12 :: 0.811 HD13 :: 0.811 HD21 :: 0.805 HD22 :: 0.805 HD23 :: 0.805 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 :: 118.238 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>> D 0.34 N 0.19 L 0.17 F 0.09 Y 0.07 C 0.06 K 0.04 HN Overlap>> 1.I30 1.F22 1.I30 1.F22 C Shift Assignments>> C :: 175.273 CA :: 53.903 CB :: 40.606 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 :: 7.999 HA :: 4.489 HB2 :: 2.446 HB3 :: 2.900 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 120.15 Ave N Shift Values>> N :: 120.65(3.86) 1.I74 Overall: Suspicious Typing: Suspicious SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.99 C Shift Assignments>> C :: 175.87 CA :: 60.157 CB :: 39.064 CG1 :: 24.613 CG2 :: 11.061(S) CD1 :: 15.000 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 :: 7.799 HA :: 4.219 HB :: 1.871 HG12 :: 1.082 HG13 :: 1.395 HG21 :: 0.827 HG22 :: 0.827 HG23 :: 0.827 HD11 :: 0.827 HD12 :: 0.827 HD13 :: 0.827 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 :: 118.248 Ave N Shift Values>> N :: 121.46(4.28) 1.S75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.57 CA :: 56.216 CB :: 63.07 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.350 HA :: 4.722 HB2 :: 3.802 HB3 :: 3.800 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 :: 121.74 Ave N Shift Values>> N :: 116.28(3.52) 1.P76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.87 G 0.08 P 0.03 C Shift Assignments>> C :: 175.509 CA :: 62.556 CB :: 32.296 CG :: 24.426 CD :: 48.072 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 :: 4.419 HB2 :: 1.943 HB3 :: 2.180 HG2 :: 1.988 HG3 :: 1.994 HD2 :: 3.710 HD3 :: 3.745 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.L77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 G 0.32 A 0.16 L 0.06 C Shift Assignments>> C :: 182.03 CA :: 56.216 CB :: 43.861 CG :: 24.800 CD1 :: 21.342 CD2 :: 21.342 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 :: 7.750 HA :: 4.072 HB2 :: 1.484 HB3 :: 1.484 HG :: 1.400 HD11 :: 0.831 HD12 :: 0.831 HD13 :: 0.831 HD21 :: 0.853 HD22 :: 0.853 HD23 :: 0.853 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 :: 127.72 Ave N Shift Values>> N :: 121.86(3.9) ########################################################################### Overall Results: #Consistent: 71 #Clerical: 0 #Suspicious: 5 #Anomalous: 0 #Mistyped: 1 #Indeterminable: 0 Typing Results: #Consistent: 73 #Suspicious: 2 #Mistyped: 1 #Indeterminable: 1 Shift Relative Order (SRO) Results: #Consistent: 77 #Suspicious: 0 C Shift Results: #Consistent: 352 #Duplicate: 0 #Unknown: 0 #Suspicious: 3 #Anomalous: 0 H Shift Results: #Consistent: 554 #Duplicate: 0 #Unknown: 0 #Suspicious: 4 #Anomalous: 0 N Shift Results: #Consistent: 75 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 Error Summary: 1.Y10 Typing: Suspicious 1.Y10 CD1 = 128.900(S), Expected = 132.77, Std = 1.1700, ChiSquare = 9.4068e-04 1.K13 Typing: Mistyped 1.T26 CG2 = 17.510(S), Expected = 21.55, Std = 1.1100, ChiSquare = 2.7302e-04 1.E59 N = 134.159(S), Expected = 120.67, Std = 3.4800, ChiSquare = 1.0612e-04 1.I68 HG13 = -0.703(S), Expected = 1.19, Std = 0.4100, ChiSquare = 3.8919e-06 1.I68 HD11 = -0.387(S), Expected = 0.68, Std = 0.2900, ChiSquare = 2.3387e-04 1.I68 HD12 = -0.387(S), Expected = 0.68, Std = 0.2900, ChiSquare = 2.3387e-04 1.I68 HD13 = -0.387(S), Expected = 0.68, Std = 0.2900, ChiSquare = 2.3387e-04 1.I74 Typing: Suspicious 1.I74 CG2 = 11.061(S), Expected = 17.53, Std = 1.3600, ChiSquare = 1.9686e-06