Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> R 0.35 L 0.31 D 0.08 K 0.08 F 0.06 Y 0.03 G 0.03 I 0.01 C Shift Assignments>> CA :: 42.960 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> HA2 :: 3.750 HA3 :: 3.901 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) 1.S2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 173.529 CA :: 58.436 CB :: 63.764 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> HA :: 3.927 HB2 :: 4.648 HB3 :: 4.648 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) 1.M3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.56 A 0.43 C Shift Assignments>> C :: 172.696 CA :: 53.960 CB :: 35.065 CG :: 31.121 CE :: 17.047 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 :: 9.107 HA :: 4.783 HB2 :: 1.911 HB3 :: 1.990 HG2 :: 2.443 HG3 :: 2.443 HE1 :: 1.705 HE2 :: 1.705 HE3 :: 1.705 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 120.330 Ave N Shift Values>> N :: 120.09(3.57) 1.Q4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.45 K 0.27 M 0.19 E 0.05 R 0.01 C Shift Assignments>> C :: 175.892 CA :: 53.828 CB :: 29.948 CG :: 33.751 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 :: 8.384 HA :: 5.364 HB2 :: 1.700 HB3 :: 1.880 HG2 :: 2.285 HG3 :: 2.285 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 :: 121.114 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.I5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.93 A 0.05 G 0.01 C Shift Assignments>> C :: 172.645 CA :: 58.775 CB :: 41.364 CG1 :: 24.333 CG2 :: 17.397 CD1 :: 13.731 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 :: 8.392 HA :: 4.310 HB :: 1.881 HG12 :: 0.917 HG13 :: 1.140 HG21 :: 0.706 HG22 :: 0.706 HG23 :: 0.706 HD11 :: 0.659 HD12 :: 0.659 HD13 :: 0.659 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 114.990 Ave N Shift Values>> N :: 121.46(4.28) 1.F6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.99 C Shift Assignments>> C :: 175.076 CA :: 55.060 CB :: 40.410 CD1 :: 131.070 CD2 :: 131.070 CE1 :: 130.550 CE2 :: 130.550 CZ :: 128.930 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.731 HA :: 5.548 HB2 :: 3.141 HB3 :: 2.950 HD1 :: 7.120 HD2 :: 7.120 HE1 :: 7.311 HE2 :: 7.311 HZ :: 7.300 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 118.863 Ave N Shift Values>> N :: 120.45(4.18) 1.V7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 174.974 CA :: 59.904 CB :: 33.375 CG1 :: 20.957 CG2 :: 20.130 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 :: 9.155 HA :: 5.055 HB :: 1.914 HG11 :: 0.799 HG12 :: 0.799 HG13 :: 0.799 HG21 :: 0.797 HG22 :: 0.797 HG23 :: 0.797 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 :: 119.550 Ave N Shift Values>> N :: 121.14(4.54) 1.K8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.95 R 0.02 A 0.01 C Shift Assignments>> C :: 176.045 CA :: 54.697 CB :: 34.391 CG :: 24.258 CD :: 28.863 CE :: 41.104 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 :: 9.078 HA :: 4.977 HB2 :: 1.474 HB3 :: 1.792 HE2 :: 2.966 HE3 :: 2.966 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 :: 129.015 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.31 R 0.31 G 0.23 D 0.04 F 0.04 Y 0.02 K 0.01 C Shift Assignments>> C :: 175.552 CA :: 43.924 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.649 HA2 :: 4.378 HA3 :: 4.584 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.500 Ave N Shift Values>> N :: 109.67(3.87) 1.L10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.63 K 0.33 A 0.02 HN Overlap>> 1.K65 1.K65 C Shift Assignments>> CA :: 56.498 CB :: 41.779 CD1 :: 22.838 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 :: 8.562 HA :: 4.303 HB2 :: 1.645 HB3 :: 1.763 HG :: 1.709 HD11 :: 0.867 HD12 :: 0.867 HD13 :: 0.867 HD21 :: 0.867 HD22 :: 0.867 HD23 :: 0.867 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 :: 120.313 Ave N Shift Values>> N :: 121.86(3.9) 1.T11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> T 0.99 C Shift Assignments>> C :: 175.093 CA :: 60.451 CB :: 69.020 CG2 :: 21.130 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>> HA :: 4.564 HB :: 4.570 HG21 :: 1.279 HG22 :: 1.279 HG23 :: 1.279 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) 1.G12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.71 L 0.18 R 0.05 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> C :: 174.039 CA :: 44.836 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.123 HA2 :: 3.735 HA3 :: 4.336 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.154 Ave N Shift Values>> N :: 109.67(3.87) 1.K13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.23 K 0.2 R 0.14 H 0.13 Q 0.1 W 0.09 E 0.06 V 0.01 C Shift Assignments>> CA :: 55.640 CB :: 32.390 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 :: 8.021 HA :: 4.800 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 :: 120.968 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.T14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> T 0.99 C Shift Assignments>> C :: 174.362 CA :: 61.969 CB :: 69.536 CG2 :: 21.713 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>> HA :: 5.006 HB :: 4.043 HG21 :: 1.174 HG22 :: 1.174 HG23 :: 1.174 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) 1.T15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 173.104 CA :: 61.786 CB :: 70.179 CG2 :: 20.510 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 :: 9.028 HA :: 4.721 HB :: 3.995 HG21 :: 1.166 HG22 :: 1.166 HG23 :: 1.166 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 124.317 Ave N Shift Values>> N :: 115.42(4.75) 1.T16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 173.274 CA :: 61.284 CB :: 69.510 CG2 :: 21.425 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 :: 8.731 HA :: 5.055 HB :: 4.092 HG21 :: 1.172 HG22 :: 1.172 HG23 :: 1.172 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 :: 122.168 Ave N Shift Values>> N :: 115.42(4.75) 1.L17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.74 L 0.22 A 0.03 C Shift Assignments>> C :: 174.702 CA :: 52.451 CB :: 46.271 CG :: 26.316 CD2 :: 24.024 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 :: 8.912 HA :: 4.772 HB2 :: 1.373 HB3 :: 1.373 HG :: 1.504 HD21 :: 0.788 HD22 :: 0.788 HD23 :: 0.788 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 :: 125.117 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>> E 0.49 K 0.22 Q 0.19 I 0.03 R 0.01 M 0.01 C Shift Assignments>> C :: 175.926 CA :: 55.060 CB :: 28.484 CG :: 35.891 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 :: 8.224 HA :: 4.994 HB2 :: 1.912 HB3 :: 1.950 HG2 :: 2.157 HG3 :: 2.239 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 122.278 Ave N Shift Values>> N :: 120.67(3.48) 1.V19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.69 A 0.28 I 0.01 C Shift Assignments>> C :: 173.767 CA :: 58.205 CB :: 35.869 CG1 :: 21.758 CG2 :: 18.707 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 :: 8.881 HA :: 4.776 HB :: 2.454 HG11 :: 0.781 HG12 :: 0.781 HG13 :: 0.781 HG21 :: 0.515 HG22 :: 0.515 HG23 :: 0.515 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 :: 116.959 Ave N Shift Values>> N :: 121.14(4.54) 1.E20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.39 E 0.25 Q 0.24 K 0.09 C Shift Assignments>> CA :: 52.483 CB :: 30.593 CG :: 35.260 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.492 HA :: 5.062 HB2 :: 1.708 HB3 :: 2.176 HG2 :: 2.247 HG3 :: 2.372 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 :: 118.016 Ave N Shift Values>> N :: 120.67(3.48) 1.P21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 175.297 CA :: 64.890 CB :: 31.116 CG :: 27.334 CD :: 50.056 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 :: 4.182 HB2 :: 2.076 HB3 :: 2.476 HG2 :: 2.146 HG3 :: 2.242 HD2 :: 3.830 HD3 :: 4.039 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.S22 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Suspicious PRTL>> S 0.99 C Shift Assignments>> C :: 174.447 CA :: 56.743 CB :: 62.880 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.103 HA :: 4.437 HB2 :: 3.839 HB3 :: 4.210 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 :: 103.828(S) Ave N Shift Values>> N :: 116.28(3.52) 1.D23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.28 L 0.18 F 0.18 Y 0.15 N 0.12 K 0.04 I 0.01 C Shift Assignments>> C :: 176.402 CA :: 55.390 CB :: 40.370 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.045 HA :: 4.738 HB2 :: 2.972 HB3 :: 2.567 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 :: 123.913 Ave N Shift Values>> N :: 120.65(3.86) 1.T24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 176.555 CA :: 59.079 CB :: 70.433 CG2 :: 21.683 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 :: 7.967 HA :: 4.938 HB :: 4.843 HG21 :: 1.338 HG22 :: 1.338 HG23 :: 1.338 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 109.500 Ave N Shift Values>> N :: 115.42(4.75) 1.I25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.88 M 0.1 C Shift Assignments>> CA :: 61.819 CB :: 33.920 CG1 :: 27.120 CG2 :: 17.680 CD1 :: 8.971 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 :: 8.628 HA :: 3.692 HB :: 2.517 HG12 :: 1.377 HG13 :: 1.951 HG21 :: 0.840 HG22 :: 0.840 HG23 :: 0.840 HD11 :: 0.651 HD12 :: 0.651 HD13 :: 0.651 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 :: 121.579 Ave N Shift Values>> N :: 121.46(4.28) 1.E26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> I 0.52 E 0.29 K 0.09 Q 0.06 R 0.01 C Shift Assignments>> C :: 179.002 CA :: 60.330 CB :: 27.940 CG :: 35.847 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> HA :: 3.954 HB2 :: 2.066 HB3 :: 2.102 HG2 :: 2.360 HG3 :: 2.360 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) 1.N27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.3 Y 0.21 F 0.16 E 0.12 D 0.08 M 0.05 I 0.02 L 0.02 C Shift Assignments>> C :: 178.322 CA :: 55.244 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 :: 7.953 HA :: 4.620 HB2 :: 3.229 HB3 :: 2.904 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 :: 121.468 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.V28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 177.812 CA :: 67.046 CB :: 30.300 CG1 :: 20.672 CG2 :: 23.350 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 :: 8.312 HA :: 3.484 HB :: 2.390 HG11 :: 0.760 HG12 :: 0.760 HG13 :: 0.760 HG21 :: 1.055 HG22 :: 1.055 HG23 :: 1.055 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 :: 122.536 Ave N Shift Values>> N :: 121.14(4.54) 1.K29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.58 R 0.22 Q 0.14 I 0.01 V 0.01 C Shift Assignments>> C :: 180.277 CA :: 58.883 CB :: 33.103 CG :: 25.800 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.742 HA :: 4.587 HB2 :: 1.515 HB3 :: 2.068 HG2 :: 1.648 HG3 :: 1.648 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 :: 119.303 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.65 A 0.31 I 0.03 C Shift Assignments>> C :: 180.215 CA :: 54.840 CB :: 17.096 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.877 HA :: 4.230 HB1 :: 1.701 HB2 :: 1.701 HB3 :: 1.701 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.505 Ave N Shift Values>> N :: 123.23(3.54) 1.K31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.67 R 0.31 C Shift Assignments>> C :: 180.229 CA :: 59.142 CB :: 32.520 CG :: 26.080 CD :: 29.620 CE :: 41.920 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.927 HA :: 4.250 HB2 :: 2.182 HB3 :: 1.998 HG2 :: 1.594 HG3 :: 1.594 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 :: 120.598 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 180.286 CA :: 65.377 CB :: 36.440 CG1 :: 30.920 CG2 :: 17.038 CD1 :: 14.640 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 :: 8.614 HA :: 3.580 HB :: 2.388 HG12 :: 2.003 HG13 :: 2.003 HG21 :: 0.780 HG22 :: 0.780 HG23 :: 0.780 HD11 :: 0.856 HD12 :: 0.856 HD13 :: 0.856 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 :: 121.068 Ave N Shift Values>> N :: 121.46(4.28) 1.Q33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.41 Q 0.26 K 0.22 P 0.03 M 0.02 I 0.02 C Shift Assignments>> C :: 178.844 CA :: 59.186 CB :: 27.100 CG :: 32.810 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 :: 8.756 HA :: 3.997 HB2 :: 2.017 HB3 :: 2.549 HG2 :: 1.935 HG3 :: 2.287 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 :: 126.930 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.D34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.28 Y 0.25 D 0.15 L 0.15 K 0.05 I 0.05 N 0.03 C Shift Assignments>> C :: 177.501 CA :: 57.031 CB :: 40.370 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.033 HA :: 4.414 HB2 :: 2.827 HB3 :: 2.932 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 :: 120.549 Ave N Shift Values>> N :: 120.65(3.86) 1.K35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.23 M 0.23 Q 0.23 R 0.08 H 0.07 W 0.05 E 0.03 V 0.03 C Shift Assignments>> C :: 178.038 CA :: 56.860 CB :: 33.360 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 :: 7.386 HA :: 4.333 HB2 :: 1.963 HB3 :: 1.963 HG2 :: 1.621 HG3 :: 1.621 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 :: 113.834 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.T36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.819 CA :: 62.179 CB :: 72.477 CG2 :: 20.359 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 :: 8.263 HA :: 4.718 HB :: 4.290 HG21 :: 1.241 HG22 :: 1.241 HG23 :: 1.241 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 :: 106.465 Ave N Shift Values>> N :: 115.42(4.75) 1.G37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.59 L 0.22 R 0.1 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> C :: 174.166 CA :: 44.606 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.810 HA2 :: 4.355 HA3 :: 3.846 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.744 Ave N Shift Values>> N :: 109.67(3.87) 1.L38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.91 G 0.04 A 0.03 C Shift Assignments>> CA :: 52.084 CB :: 42.445 CG :: 25.820 CD1 :: 23.972 CD2 :: 24.177 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 :: 7.614 HA :: 4.535 HB2 :: 1.356 HB3 :: 1.245 HG :: 1.325 HD11 :: 0.573 HD12 :: 0.573 HD13 :: 0.573 HD21 :: 0.491 HD22 :: 0.491 HD23 :: 0.491 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 :: 125.200 Ave N Shift Values>> N :: 121.86(3.9) 1.P39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> CA :: 60.900 CB :: 30.870 CG :: 27.490 CD :: 50.450 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 :: 4.664 HB2 :: 1.991 HB3 :: 2.464 HG2 :: 2.096 HG3 :: 2.160 HD2 :: 3.520 HD3 :: 4.407 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.P40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 178.123 CA :: 65.601 CB :: 32.400 CG :: 27.194 CD :: 50.480 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 :: 4.150 HB2 :: 2.100 HB3 :: 2.295 HG2 :: 1.689 HG3 :: 2.227 HD2 :: 3.786 HD3 :: 3.786 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.D41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.27 D 0.22 Y 0.18 F 0.18 L 0.09 I 0.01 C Shift Assignments>> C :: 176.823 CA :: 55.050 CB :: 39.150 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 :: 8.518 HA :: 4.477 HB2 :: 2.723 HB3 :: 2.827 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 :: 113.380 Ave N Shift Values>> N :: 120.65(3.86) 1.Q42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.43 K 0.36 M 0.07 E 0.06 R 0.05 C Shift Assignments>> C :: 174.900 CA :: 54.940 CB :: 29.160 CG :: 33.722 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 :: 7.864 HA :: 4.545 HB2 :: 1.853 HB3 :: 1.906 HG2 :: 2.437 HG3 :: 2.621 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 :: 116.933 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Q43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.51 Q 0.27 K 0.19 R 0.01 C Shift Assignments>> C :: 175.848 CA :: 55.276 CB :: 30.840 CG :: 32.314 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 :: 7.446 HA :: 4.381 HB2 :: 1.833 HB3 :: 1.908 HG2 :: 2.469 HG3 :: 2.469 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 118.389 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.R44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.76 K 0.17 G 0.05 C Shift Assignments>> C :: 173.812 CA :: 54.933 CB :: 30.807 CG :: 26.631 CD :: 42.889 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 :: 8.408 HA :: 4.561 HB2 :: 1.733 HB3 :: 1.733 HG2 :: 1.472 HG3 :: 1.586 HD2 :: 3.209 HD3 :: 3.209 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 :: 123.499 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.L45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.5 L 0.44 A 0.04 C Shift Assignments>> C :: 175.353 CA :: 52.573 CB :: 44.714 CG :: 26.842 CD1 :: 24.839 CD2 :: 23.321 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 :: 5.361 HB2 :: 1.637 HB3 :: 1.268 HG :: 1.548 HD11 :: 0.840 HD12 :: 0.840 HD13 :: 0.840 HD21 :: 0.841 HD22 :: 0.841 HD23 :: 0.841 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 :: 124.567 Ave N Shift Values>> N :: 121.86(3.9) 1.I46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.97 A 0.02 C Shift Assignments>> C :: 175.579 CA :: 58.310 CB :: 40.528 CG1 :: 27.299 CG2 :: 17.013 CD1 :: 11.893 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 :: 9.206 HA :: 5.000 HB :: 1.768 HG12 :: 1.135 HG13 :: 1.397 HG21 :: 0.740 HG22 :: 0.740 HG23 :: 0.740 HD11 :: 0.711 HD12 :: 0.711 HD13 :: 0.711 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 :: 122.662 Ave N Shift Values>> N :: 121.46(4.28) 1.F47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.92 G 0.07 C Shift Assignments>> C :: 174.561 CA :: 55.849 CB :: 42.890 CD1 :: 131.440 CD2 :: 131.440 CE1 :: 131.509 CE2 :: 131.509 CZ :: 129.360 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 :: 8.828 HA :: 5.238 HB2 :: 2.862 HB3 :: 3.070 HD1 :: 7.430 HD2 :: 7.430 HE1 :: 7.598 HE2 :: 7.598 HZ :: 7.520 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 :: 124.709 Ave N Shift Values>> N :: 120.45(4.18) 1.A48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.6 M 0.39 C Shift Assignments>> C :: 177.247 CA :: 51.858 CB :: 15.885 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.010 HA :: 3.751 HB1 :: 0.902 HB2 :: 0.902 HB3 :: 0.902 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 132.860 Ave N Shift Values>> N :: 123.23(3.54) 1.G49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.64 L 0.2 R 0.08 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> C :: 173.643 CA :: 44.703 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.089 HA2 :: 3.488 HA3 :: 4.155 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 102.630 Ave N Shift Values>> N :: 109.67(3.87) 1.K50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.88 R 0.08 A 0.02 C Shift Assignments>> C :: 174.519 CA :: 54.001 CB :: 33.550 CG :: 23.957 CD :: 28.671 CE :: 41.544 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 :: 8.028 HA :: 4.667 HB2 :: 1.972 HB3 :: 1.972 HG2 :: 1.636 HG3 :: 1.636 HE2 :: 3.226 HE3 :: 3.226 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 :: 122.237 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Q51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.42 K 0.35 R 0.09 E 0.07 M 0.03 C Shift Assignments>> C :: 175.635 CA :: 55.390 CB :: 28.407 CG :: 33.947 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 :: 8.643 HA :: 4.497 HB2 :: 2.036 HB3 :: 1.871 HG2 :: 2.308 HG3 :: 2.308 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 :: 123.092 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.98 L 0.01 C Shift Assignments>> C :: 176.611 CA :: 53.571 CB :: 40.803 CG :: 24.324 CD1 :: 25.320 CD2 :: 19.314 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 :: 8.544 HA :: 4.153 HB2 :: 1.075 HB3 :: 1.563 HG :: 1.501 HD11 :: 0.580 HD12 :: 0.580 HD13 :: 0.580 HD21 :: -0.090 HD22 :: -0.090 HD23 :: -0.090 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 :: 125.507 Ave N Shift Values>> N :: 121.86(3.9) 1.E53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.52 M 0.36 Q 0.07 K 0.02 C Shift Assignments>> C :: 175.226 CA :: 55.480 CB :: 31.300 CG :: 36.126 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 :: 8.410 HA :: 4.609 HB2 :: 2.048 HB3 :: 2.048 HG2 :: 2.382 HG3 :: 2.382 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 :: 123.223 Ave N Shift Values>> N :: 120.67(3.48) 1.D54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.23 F 0.23 Y 0.21 L 0.15 N 0.09 I 0.02 K 0.02 C Shift Assignments>> CA :: 55.992 CB :: 40.080 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.202 HA :: 4.433 HB2 :: 2.567 HB3 :: 2.689 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 :: 120.438 Ave N Shift Values>> N :: 120.65(3.86) 1.G55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.69 L 0.18 R 0.06 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> C :: 174.703 CA :: 44.809 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> HA2 :: 4.126 HA3 :: 4.126 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) 1.R56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.71 K 0.25 G 0.03 C Shift Assignments>> C :: 175.226 CA :: 53.567 CB :: 31.960 CG :: 26.931 CD :: 42.390 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 :: 7.485 HA :: 4.796 HB2 :: 2.178 HB3 :: 2.310 HG2 :: 1.670 HG3 :: 1.904 HD2 :: 3.143 HD3 :: 3.199 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 :: 119.424 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.T57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 176.484 CA :: 59.151 CB :: 71.868 CG2 :: 21.636 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 :: 8.915 HA :: 5.330 HB :: 4.547 HG21 :: 1.185 HG22 :: 1.185 HG23 :: 1.185 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 109.146 Ave N Shift Values>> N :: 115.42(4.75) 1.L58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.97 A 0.02 C Shift Assignments>> C :: 180.611 CA :: 57.975 CB :: 39.776 CG :: 25.824 CD1 :: 26.196 CD2 :: 22.469 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 :: 8.192 HA :: 4.124 HB2 :: 1.258 HB3 :: 2.180 HG :: 1.789 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 :: 117.771 Ave N Shift Values>> N :: 121.86(3.9) 1.S59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 178.166 CA :: 60.523 CB :: 61.940 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.423 HA :: 4.323 HB2 :: 3.808 HB3 :: 3.900 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 :: 113.230 Ave N Shift Values>> N :: 116.28(3.52) 1.D60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.3 Y 0.29 D 0.15 L 0.11 I 0.05 N 0.05 K 0.01 C Shift Assignments>> C :: 177.303 CA :: 56.860 CB :: 39.787 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 :: 7.945 HA :: 4.342 HB2 :: 3.053 HB3 :: 2.337 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 :: 124.565 Ave N Shift Values>> N :: 120.65(3.86) 1.Y61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 174.590 CA :: 57.745 CB :: 39.430 CD1 :: 132.829 CD2 :: 132.829 CE1 :: 117.810 CE2 :: 117.810 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 7.311 HA :: 4.696 HB2 :: 2.599 HB3 :: 3.511 HD1 :: 7.320 HD2 :: 7.320 HE1 :: 6.940 HE2 :: 6.940 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 115.843 Ave N Shift Values>> N :: 120.52(4.2) 1.N62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.47 E 0.16 M 0.12 Y 0.08 F 0.05 D 0.03 K 0.02 C Shift Assignments>> C :: 174.165 CA :: 53.583 CB :: 36.726 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 :: 8.161 HA :: 4.407 HB2 :: 2.860 HB3 :: 3.367 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 115.827 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.I63 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 174.378 CA :: 61.926 CB :: 36.259 CG1 :: 27.730 CG2 :: 16.711 CD1 :: 13.910 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 :: 7.211 HA :: 3.403 HB :: 1.434 HG12 :: -0.346(S) HG13 :: 1.126 HG21 :: 0.549 HG22 :: 0.549 HG23 :: 0.549 HD11 :: 0.478 HD12 :: 0.478 HD13 :: 0.478 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 :: 118.960 Ave N Shift Values>> N :: 121.46(4.28) 1.Q64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.63 Q 0.26 K 0.09 C Shift Assignments>> C :: 175.611 CA :: 53.110 CB :: 31.093 CG :: 32.742 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 :: 7.665 HA :: 4.588 HB2 :: 1.942 HB3 :: 2.296 HG2 :: 2.357 HG3 :: 2.418 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 124.901 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.K65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.83 R 0.15 HN Overlap>> 1.L10 1.I71 1.L10 1.I71 C Shift Assignments>> C :: 175.880 CA :: 57.460 CB :: 31.860 CG :: 23.676 CD :: 29.163 CE :: 41.546 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 :: 8.473 HA :: 4.034 HB2 :: 1.950 HB3 :: 2.110 HG2 :: 1.580 HG3 :: 1.580 HD2 :: 1.930 HD3 :: 1.930 HE2 :: 3.095 HE3 :: 3.095 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 :: 120.318 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.49 K 0.29 E 0.13 L 0.05 Q 0.01 C Shift Assignments>> C :: 175.202 CA :: 57.814 CB :: 25.451 CG :: 36.902 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 :: 9.299 HA :: 3.426 HB2 :: 2.467 HB3 :: 2.588 HG2 :: 2.286 HG3 :: 2.286 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 :: 114.842 Ave N Shift Values>> N :: 120.67(3.48) 1.S67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 171.974 CA :: 60.390 CB :: 64.259 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.778 HA :: 4.712 HB2 :: 3.749 HB3 :: 4.000 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 :: 115.119 Ave N Shift Values>> N :: 116.28(3.52) 1.T68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 173.567 CA :: 61.850 CB :: 69.772 CG2 :: 20.932 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 :: 8.764 HA :: 5.342 HB :: 4.122 HG21 :: 0.973 HG22 :: 0.973 HG23 :: 0.973 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 :: 117.698 Ave N Shift Values>> N :: 115.42(4.75) 1.L69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.47 G 0.33 K 0.09 R 0.07 A 0.01 C Shift Assignments>> C :: 175.119 CA :: 53.220 CB :: 43.799 CG :: 28.530 CD1 :: 24.540 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 :: 9.400 HA :: 5.142 HB2 :: 1.647 HB3 :: 1.695 HG :: 1.800 HD11 :: 0.743 HD12 :: 0.743 HD13 :: 0.743 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 :: 127.655 Ave N Shift Values>> N :: 121.86(3.9) 1.H70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.58 W 0.4 C Shift Assignments>> C :: 174.246 CA :: 55.082 CB :: 32.310 CD2 :: 118.985 CE1 :: 137.510 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 :: 9.128 HA :: 5.423 HB2 :: 3.121 HB3 :: 2.948 HD2 :: 6.970 HE1 :: 7.721 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 120.510 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.I71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.98 A 0.01 HN Overlap>> 1.K65 1.K65 C Shift Assignments>> C :: 174.800 CA :: 58.474 CB :: 40.092 CG1 :: 27.430 CG2 :: 16.156 CD1 :: 14.074 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 :: 8.369 HA :: 5.173 HB :: 1.580 HG12 :: 0.916 HG13 :: 0.900 HG21 :: 0.842 HG22 :: 0.842 HG23 :: 0.842 HD11 :: 0.767 HD12 :: 0.767 HD13 :: 0.767 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 :: 120.349 Ave N Shift Values>> N :: 121.46(4.28) 1.V72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 174.467 CA :: 60.299 CB :: 33.550 CG1 :: 20.886 CG2 :: 20.389 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 :: 8.944 HA :: 4.367 HB :: 2.073 HG11 :: 1.015 HG12 :: 1.015 HG13 :: 1.015 HG21 :: 0.937 HG22 :: 0.937 HG23 :: 0.937 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 126.551 Ave N Shift Values>> N :: 121.14(4.54) 1.W73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.99 C Shift Assignments>> C :: 175.797 CA :: 55.745 CB :: 30.099 CD1 :: 125.750 CE3 :: 120.050 CZ2 :: 113.950 CZ3 :: 121.160 CH2 :: 123.940 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 :: 8.425 HA :: 5.108 HB2 :: 3.219 HB3 :: 3.308 HD1 :: 7.370 HE1 :: 10.370 HE3 :: 7.620 HZ2 :: 7.518 HZ3 :: 7.144 HH2 :: 7.247 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 125.438 NE1 :: 129.270 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.R74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.19 R 0.18 Q 0.14 W 0.14 E 0.12 M 0.12 K 0.07 C Shift Assignments>> C :: 174.661 CA :: 55.057 CB :: 30.560 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 :: 8.261 HA :: 4.283 HB2 :: 1.589 HB3 :: 1.589 HG2 :: 1.534 HG3 :: 1.534 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 :: 125.700 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.L75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.91 A 0.07 C Shift Assignments>> C :: 177.072 CA :: 54.630 CB :: 41.642 CG :: 26.420 CD1 :: 22.972 CD2 :: 24.168 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 :: 7.901 HA :: 4.220 HB2 :: 1.433 HB3 :: 1.487 HG :: 1.530 HD11 :: 0.866 HD12 :: 0.866 HD13 :: 0.866 HD21 :: 0.866 HD22 :: 0.866 HD23 :: 0.866 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 :: 123.370 Ave N Shift Values>> N :: 121.86(3.9) 1.R76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.17 Q 0.16 R 0.15 W 0.14 E 0.14 K 0.11 M 0.07 C Shift Assignments>> C :: 176.609 CA :: 55.770 CB :: 29.900 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 :: 8.211 HA :: 4.287 HB2 :: 1.831 HB3 :: 1.902 HG2 :: 1.668 HG3 :: 1.668 HD2 :: 3.259 HD3 :: 3.259 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 121.200 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.G77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.58 L 0.23 R 0.1 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> C :: 173.520 CA :: 44.581 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.434 HA2 :: 4.001 HA3 :: 4.014 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.833 Ave N Shift Values>> N :: 109.67(3.87) 1.G78 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 :: 45.438 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.966 HA2 :: 3.789 HA3 :: 3.837 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 115.132 Ave N Shift Values>> N :: 109.67(3.87) ########################################################################### Overall Results: #Consistent: 76 #Clerical: 0 #Suspicious: 2 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 78 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 78 #Suspicious: 0 C Shift Results: #Consistent: 328 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 517 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 N Shift Results: #Consistent: 69 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 Error Summary: 1.S22 N = 103.828(S), Expected = 116.28, Std = 3.5200, ChiSquare = 4.0393e-04 1.I63 HG12 = -0.346(S), Expected = 1.28, Std = 0.4000, ChiSquare = 4.8032e-05