Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.S1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> H 0.15 R 0.14 E 0.13 W 0.13 Q 0.13 C 0.12 K 0.07 M 0.07 C Shift Assignments>> C :: 175.237 CA :: 56.266 CB :: 30.179 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) 1.M3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.5 C 0.37 A 0.12 C Shift Assignments>> C :: 176.671 CA :: 55.742 CB :: 32.564 CG :: 31.994 CE :: 17.114 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.440 HA :: 4.422 HB2 :: 2.007 HB3 :: 2.007 HG2 :: 2.500 HG3 :: 2.500 HE1 :: 2.061 HE2 :: 2.061 HE3 :: 2.061 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 :: 121.779 Ave N Shift Values>> N :: 120.09(3.57) 1.G4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.83 L 0.09 C 0.02 R 0.01 C Shift Assignments>> C :: 174.340 CA :: 45.281 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.467 HA2 :: 3.974 HA3 :: 3.974 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.408 Ave N Shift Values>> N :: 109.67(3.87) 1.E5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.41 C 0.34 M 0.07 K 0.07 Q 0.05 I 0.03 HN Overlap>> 1.E97 1.E97 C Shift Assignments>> C :: 176.904 CA :: 56.736 CB :: 29.997 CG :: 36.387 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 :: 8.395 HA :: 4.248 HB2 :: 1.942 HB3 :: 1.942 HG2 :: 2.249 HG3 :: 2.249 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 :: 120.579 Ave N Shift Values>> N :: 120.67(3.48) 1.L6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.61 C 0.3 R 0.04 A 0.01 G 0.01 C Shift Assignments>> C :: 177.646 CA :: 55.669 CB :: 42.151 CG :: 26.976 CD1 :: 23.601 CD2 :: 25.207 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 :: 8.268 HA :: 4.252 HB2 :: 1.611 HB3 :: 1.611 HG :: 1.638 HD11 :: 0.867 HD12 :: 0.867 HD13 :: 0.867 HD21 :: 0.912 HD22 :: 0.912 HD23 :: 0.912 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 :: 123.997 Ave N Shift Values>> N :: 121.86(3.9) 1.E7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.41 C 0.36 M 0.07 K 0.05 I 0.04 Q 0.03 HN Overlap>> 1.Y154 1.Y154 1.D103 1.D103 C Shift Assignments>> C :: 176.556 CA :: 57.209 CB :: 30.163 CG :: 36.486 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 :: 8.300 HA :: 4.155 HB2 :: 1.991 HB3 :: 1.991 HG2 :: 2.249 HG3 :: 2.249 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 :: 121.060 Ave N Shift Values>> N :: 120.67(3.48) 1.A8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.84 M 0.12 C 0.01 C Shift Assignments>> C :: 177.792 CA :: 52.814 CB :: 19.102 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.116 HA :: 4.269 HB1 :: 1.352 HB2 :: 1.352 HB3 :: 1.352 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.011 Ave N Shift Values>> N :: 123.23(3.54) 1.I9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.69 C 0.3 C Shift Assignments>> C :: 176.743 CA :: 61.571 CB :: 38.502 CG1 :: 27.474 CG2 :: 17.552 CD1 :: 12.882 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 :: 7.956 HA :: 4.113 HB :: 1.859 HG12 :: 1.180 HG13 :: 1.476 HG21 :: 1.160 HG22 :: 1.160 HG23 :: 1.160 HD11 :: 0.818 HD12 :: 0.818 HD13 :: 0.818 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 :: 119.564 Ave N Shift Values>> N :: 121.46(4.28) 1.V10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.73 C 0.26 C Shift Assignments>> C :: 176.953 CA :: 63.087 CB :: 32.593 CG1 :: 20.877 CG2 :: 20.818 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 :: 8.112 HA :: 4.042 HB :: 2.072 HG11 :: 0.936 HG12 :: 0.936 HG13 :: 0.936 HG21 :: 0.908 HG22 :: 0.908 HG23 :: 0.908 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 123.442 Ave N Shift Values>> N :: 121.14(4.54) 1.G11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.08 C 0.02 C Shift Assignments>> C :: 174.339 CA :: 45.553 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.329 HA2 :: 3.911 HA3 :: 3.911 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.606 Ave N Shift Values>> N :: 109.67(3.87) 1.L12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.61 C 0.3 R 0.04 G 0.01 A 0.01 HN Overlap>> 1.K30 1.A163 1.K30 1.A163 1.E78 1.E78 C Shift Assignments>> C :: 178.055 CA :: 55.675 CB :: 42.436 CG :: 26.928 CD1 :: 23.457 CD2 :: 24.961 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 :: 8.064 HA :: 4.292 HB2 :: 1.624 HB3 :: 1.624 HG :: 1.614 HD11 :: 0.840 HD12 :: 0.840 HD13 :: 0.840 HD21 :: 0.889 HD22 :: 0.889 HD23 :: 0.889 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 :: 121.526 Ave N Shift Values>> N :: 121.86(3.9) 1.G13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 L 0.07 C 0.03 C Shift Assignments>> C :: 174.472 CA :: 45.684 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.367 HA2 :: 3.905 HA3 :: 3.905 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.707 Ave N Shift Values>> N :: 109.67(3.87) 1.L14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.63 C 0.3 R 0.03 G 0.01 HN Overlap>> 1.Q66 1.Q66 C Shift Assignments>> C :: 177.650 CA :: 55.532 CB :: 42.237 CG :: 27.053 CD1 :: 24.072 CD2 :: 24.905 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 :: 7.958 HA :: 4.275 HB2 :: 1.615 HB3 :: 1.615 HG :: 1.587 HD11 :: 0.883 HD12 :: 0.883 HD13 :: 0.883 HD21 :: 0.911 HD22 :: 0.911 HD23 :: 0.911 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 :: 121.156 Ave N Shift Values>> N :: 121.86(3.9) 1.M15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.5 C 0.39 A 0.09 C Shift Assignments>> C :: 176.253 CA :: 55.951 CB :: 32.647 CG :: 31.888 CE :: 16.912 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.233 HA :: 4.339 HB2 :: 1.913 HB3 :: 1.913 HG2 :: 2.331 HG3 :: 2.439 HE1 :: 2.009 HE2 :: 2.009 HE3 :: 2.009 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 :: 119.644 Ave N Shift Values>> N :: 120.09(3.57) 1.Y16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.62 C 0.37 HN Overlap>> 1.V27 1.M55 1.V27 1.M55 C Shift Assignments>> C :: 176.081 CA :: 58.555 CB :: 38.561 CD1 :: 133.121 CD2 :: 133.121 CE1 :: 118.224 CE2 :: 118.224 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 :: 8.046 HA :: 4.510 HB2 :: 2.913 HB3 :: 3.075 HD1 :: 7.070 HD2 :: 7.070 HE1 :: 6.784 HE2 :: 6.784 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 120.137 Ave N Shift Values>> N :: 120.52(4.2) 1.S17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.243 CA :: 58.793 CB :: 63.717 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.074 HA :: 4.330 HB2 :: 3.819 HB3 :: 3.819 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 :: 115.879 Ave N Shift Values>> N :: 116.28(3.52) 1.Q18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.32 K 0.25 C 0.23 E 0.09 M 0.08 R 0.01 HN Overlap>> 1.Y154 1.Y154 C Shift Assignments>> C :: 175.569 CA :: 55.547 CB :: 29.586 CG :: 34.003 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 :: 8.167 HA :: 4.336 HB2 :: 1.980 HB3 :: 2.150 HG2 :: 2.325 HG3 :: 2.325 HE21 :: 7.503 HE22 :: 7.503 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 :: 121.111 NE2 :: 112.546 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.71 C 0.2 A 0.06 R 0.01 C Shift Assignments>> C :: 175.154 CA :: 53.228 CB :: 41.582 CG :: 27.004 CD1 :: 23.295 CD2 :: 25.333 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 :: 8.033 HA :: 4.513 HB2 :: 1.445 HB3 :: 1.545 HG :: 1.661 HD11 :: 0.872 HD12 :: 0.872 HD13 :: 0.872 HD21 :: 0.908 HD22 :: 0.908 HD23 :: 0.908 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 :: 123.905 Ave N Shift Values>> N :: 121.86(3.9) 1.P20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.79 C 0.2 C Shift Assignments>> CA :: 63.733 CB :: 32.019 CG :: 27.294 CD :: 50.396 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 :: 3.975 HB2 :: 1.729 HB3 :: 2.222 HG2 :: 1.981 HG3 :: 1.955 HD2 :: 3.584 HD3 :: 3.356 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.H21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> V 0.45 C 0.31 I 0.08 P 0.05 K 0.01 E 0.01 Y 0.01 Q 0.01 W 0.01 C Shift Assignments>> C :: 175.851 CA :: 62.518 CB :: 34.479 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) 1.H22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.15 R 0.15 E 0.13 W 0.13 Q 0.12 C 0.12 M 0.08 K 0.06 C Shift Assignments>> C :: 175.007 CA :: 56.235 CB :: 30.384 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.518 HA :: 4.582 HB2 :: 3.072 HB3 :: 3.072 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 :: 120.275 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.I23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.68 C 0.31 HN Overlap>> 1.E144 1.E144 C Shift Assignments>> C :: 176.070 CA :: 61.314 CB :: 38.474 CG1 :: 27.313 CG2 :: 17.482 CD1 :: 12.750 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.975 HA :: 4.101 HB :: 1.779 HG12 :: 1.076 HG13 :: 1.337 HG21 :: 0.828 HG22 :: 0.828 HG23 :: 0.828 HD11 :: 0.823 HD12 :: 0.823 HD13 :: 0.823 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 :: 122.150 Ave N Shift Values>> N :: 121.46(4.28) 1.L24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.65 C 0.28 R 0.03 A 0.01 G 0.01 C Shift Assignments>> C :: 176.967 CA :: 55.166 CB :: 42.164 CG :: 27.013 CD1 :: 23.542 CD2 :: 24.911 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 :: 8.198 HA :: 4.279 HB2 :: 1.578 HB3 :: 1.578 HG :: 1.625 HD11 :: 0.837 HD12 :: 0.837 HD13 :: 0.837 HD21 :: 0.897 HD22 :: 0.897 HD23 :: 0.897 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 :: 125.653 Ave N Shift Values>> N :: 121.86(3.9) 1.A25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.87 M 0.09 C 0.01 C Shift Assignments>> C :: 177.312 CA :: 52.601 CB :: 19.304 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.132 HA :: 4.279 HB1 :: 1.331 HB2 :: 1.331 HB3 :: 1.331 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.302 Ave N Shift Values>> N :: 123.23(3.54) 1.D26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 L 0.22 K 0.1 N 0.1 F 0.1 Y 0.07 C 0.05 R 0.01 HN Overlap>> 1.M101 1.L44 1.M101 1.L44 C Shift Assignments>> C :: 176.649 CA :: 54.431 CB :: 41.131 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 :: 8.151 HA :: 4.571 HB2 :: 2.585 HB3 :: 2.690 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 119.404 Ave N Shift Values>> N :: 120.65(3.86) 1.V27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.67 C 0.32 HN Overlap>> 1.Y16 1.Y16 C Shift Assignments>> C :: 176.405 CA :: 62.611 CB :: 32.413 CG1 :: 20.197 CG2 :: 21.094 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 :: 8.019 HA :: 4.104 HB :: 2.129 HG11 :: 0.905 HG12 :: 0.905 HG13 :: 0.905 HG21 :: 0.906 HG22 :: 0.906 HG23 :: 0.906 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 120.046 Ave N Shift Values>> N :: 121.14(4.54) 1.S28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.828 CA :: 58.848 CB :: 63.633 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.360 HA :: 4.403 HB2 :: 3.854 HB3 :: 3.854 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 118.827 Ave N Shift Values>> N :: 116.28(3.52) 1.L29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.63 C 0.3 R 0.02 A 0.01 HN Overlap>> 1.A86 1.A86 C Shift Assignments>> C :: 177.451 CA :: 55.554 CB :: 42.086 CG :: 26.978 CD1 :: 23.392 CD2 :: 24.840 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 :: 8.132 HA :: 4.301 HB2 :: 1.610 HB3 :: 1.610 HG :: 1.594 HD11 :: 0.841 HD12 :: 0.841 HD13 :: 0.841 HD21 :: 0.898 HD22 :: 0.898 HD23 :: 0.898 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 :: 124.175 Ave N Shift Values>> N :: 121.86(3.9) 1.K30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.45 C 0.4 R 0.12 HN Overlap>> 1.A163 1.L12 1.A163 1.L12 C Shift Assignments>> C :: 176.928 CA :: 56.610 CB :: 32.928 CG :: 24.668 CD :: 29.029 CE :: 42.156 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 :: 8.131 HA :: 4.236 HB2 :: 1.743 HB3 :: 1.787 HG2 :: 1.394 HG3 :: 1.394 HD2 :: 1.639 HD3 :: 1.639 HE2 :: 2.961 HE3 :: 2.961 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 121.529 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.39 C 0.34 M 0.07 K 0.07 Q 0.06 I 0.04 C Shift Assignments>> C :: 176.982 CA :: 57.154 CB :: 30.105 CG :: 36.208 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 :: 8.368 HA :: 4.284 HB2 :: 1.956 HB3 :: 2.044 HG2 :: 2.253 HG3 :: 2.253 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 :: 121.673 Ave N Shift Values>> N :: 120.67(3.48) 1.T32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.91 C 0.08 C Shift Assignments>> C :: 175.048 CA :: 62.418 CB :: 69.825 CG2 :: 21.756 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 :: 8.106 HA :: 4.263 HB :: 4.261 HG21 :: 1.183 HG22 :: 1.183 HG23 :: 1.183 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 :: 114.512 Ave N Shift Values>> N :: 115.42(4.75) 1.E33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.39 C 0.35 K 0.07 M 0.06 Q 0.05 I 0.05 C Shift Assignments>> C :: 177.228 CA :: 57.481 CB :: 30.067 CG :: 36.278 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 :: 8.367 HA :: 4.192 HB2 :: 1.957 HB3 :: 2.037 HG2 :: 2.242 HG3 :: 2.242 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 :: 122.620 Ave N Shift Values>> N :: 120.67(3.48) 1.E34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.39 C 0.35 K 0.07 M 0.06 I 0.05 Q 0.05 C Shift Assignments>> C :: 176.858 CA :: 57.611 CB :: 30.038 CG :: 36.260 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.404 HA :: 4.136 HB2 :: 1.950 HB3 :: 1.950 HG2 :: 2.190 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 :: 121.193 Ave N Shift Values>> N :: 120.67(3.48) 1.N35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.45 D 0.14 C 0.11 Y 0.1 F 0.09 L 0.04 E 0.01 M 0.01 C Shift Assignments>> C :: 176.059 CA :: 53.891 CB :: 38.496 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 :: 8.315 HA :: 4.592 HB2 :: 2.769 HB3 :: 2.769 HD21 :: 7.613 HD22 :: 6.922 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 118.998 ND2 :: 112.777 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.K36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.44 C 0.42 R 0.11 HN Overlap>> 1.E166 1.E104 1.E166 1.E104 C Shift Assignments>> C :: 177.450 CA :: 57.429 CB :: 32.801 CG :: 24.965 CD :: 29.105 CE :: 42.139 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 :: 8.148 HA :: 4.214 HB2 :: 1.749 HB3 :: 1.792 HG2 :: 1.355 HG3 :: 1.435 HD2 :: 1.614 HD3 :: 1.614 HE2 :: 2.929 HE3 :: 2.929 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 121.360 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.T37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.92 C 0.07 C Shift Assignments>> C :: 174.593 CA :: 62.886 CB :: 69.394 CG2 :: 21.607 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 :: 7.966 HA :: 4.051 HB :: 4.103 HG21 :: 1.116 HG22 :: 1.116 HG23 :: 1.116 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 :: 114.056 Ave N Shift Values>> N :: 115.42(4.75) 1.K38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.46 C 0.39 R 0.13 C Shift Assignments>> C :: 176.863 CA :: 56.339 CB :: 33.009 CG :: 24.789 CD :: 28.881 CE :: 42.095 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 :: 8.032 HA :: 4.169 HB2 :: 1.632 HB3 :: 1.632 HG2 :: 1.093 HG3 :: 1.268 HD2 :: 1.290 HD3 :: 1.383 HE2 :: 2.755 HE3 :: 2.755 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 :: 122.445 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.84 L 0.09 C 0.02 R 0.01 C Shift Assignments>> C :: 174.495 CA :: 45.339 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.182 HA2 :: 4.025 HA3 :: 4.025 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.016 Ave N Shift Values>> N :: 109.67(3.87) 1.F40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.77 C 0.22 C Shift Assignments>> C :: 175.934 CA :: 62.814 CB :: 39.350 CD1 :: 131.732 CD2 :: 131.732 CE1 :: 131.006 CE2 :: 131.006 CZ :: 129.679 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 :: 8.576 HA :: 3.910 HB2 :: 2.783 HB3 :: 3.439 HD1 :: 7.094 HD2 :: 7.094 HE1 :: 6.840 HE2 :: 6.840 HZ :: 6.581 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 122.766 Ave N Shift Values>> N :: 120.45(4.18) 1.D41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.29 Y 0.27 C 0.13 L 0.09 D 0.08 I 0.07 K 0.02 N 0.01 C Shift Assignments>> C :: 178.790 CA :: 57.738 CB :: 40.112 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 :: 8.476 HA :: 4.114 HB2 :: 2.567 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 :: 116.158 Ave N Shift Values>> N :: 120.65(3.86) 1.Y42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.65 C 0.34 HN Overlap>> 1.R72 1.R72 C Shift Assignments>> C :: 177.880 CA :: 61.211 CB :: 38.074 CD1 :: 133.196 CD2 :: 133.196 CE1 :: 118.166 CE2 :: 118.166 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 :: 7.552 HA :: 3.968 HB2 :: 2.979 HB3 :: 3.037 HD1 :: 6.973 HD2 :: 6.973 HE1 :: 6.753 HE2 :: 6.753 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 :: 119.750 Ave N Shift Values>> N :: 120.52(4.2) 1.L43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.59 C 0.37 K 0.01 G 0.01 C Shift Assignments>> C :: 178.171 CA :: 57.623 CB :: 42.079 CD1 :: 23.877 CD2 :: 25.411 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 :: 7.649 HA :: 3.735 HB2 :: 1.024 HB3 :: 1.558 HD11 :: 0.771 HD12 :: 0.771 HD13 :: 0.771 HD21 :: 0.758 HD22 :: 0.758 HD23 :: 0.758 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 :: 121.717 Ave N Shift Values>> N :: 121.86(3.9) 1.L44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.54 C 0.44 R 0.01 HN Overlap>> 1.D26 1.M101 1.D26 1.M101 C Shift Assignments>> C :: 178.451 CA :: 57.733 CB :: 41.102 CG :: 26.692 CD1 :: 24.098 CD2 :: 25.800 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.139 HA :: 3.430 HB2 :: 0.743 HB3 :: 1.465 HG :: 1.374 HD11 :: 0.867 HD12 :: 0.867 HD13 :: 0.867 HD21 :: 0.963 HD22 :: 0.963 HD23 :: 0.963 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 :: 119.432 Ave N Shift Values>> N :: 121.86(3.9) 1.K45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 K 0.42 R 0.12 HN Overlap>> 1.R112 1.R112 C Shift Assignments>> C :: 179.618 CA :: 59.048 CB :: 31.912 CG :: 25.181 CD :: 29.060 CE :: 42.128 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 :: 7.338 HA :: 3.959 HB2 :: 1.710 HB3 :: 1.710 HG2 :: 1.355 HG3 :: 1.474 HD2 :: 1.543 HD3 :: 1.582 HE2 :: 2.900 HE3 :: 2.900 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 :: 117.887 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.58 A 0.35 I 0.03 C 0.02 C Shift Assignments>> C :: 180.260 CA :: 55.004 CB :: 17.715 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.771 HA :: 4.002 HB1 :: 1.292 HB2 :: 1.292 HB3 :: 1.292 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.035 Ave N Shift Values>> N :: 123.23(3.54) 1.A47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.64 A 0.29 I 0.03 C 0.01 C Shift Assignments>> C :: 181.251 CA :: 55.103 CB :: 17.330 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.512 HA :: 3.962 HB1 :: 0.616 HB2 :: 0.616 HB3 :: 0.616 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.914 Ave N Shift Values>> N :: 123.23(3.54) 1.E48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 E 0.32 I 0.2 K 0.02 M 0.01 HN Overlap>> 1.M143 1.M143 C Shift Assignments>> C :: 177.730 CA :: 59.322 CB :: 29.789 CG :: 37.045 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 :: 8.554 HA :: 4.219 HB2 :: 2.094 HB3 :: 2.250 HG2 :: 2.499 HG3 :: 2.728 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 :: 119.154 Ave N Shift Values>> N :: 120.67(3.48) 1.A49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.86 M 0.12 C 0.01 C Shift Assignments>> C :: 177.809 CA :: 52.071 CB :: 18.612 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.496 HA :: 4.427 HB1 :: 1.497 HB2 :: 1.497 HB3 :: 1.497 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.449 Ave N Shift Values>> N :: 123.23(3.54) 1.G50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.08 C 0.02 C Shift Assignments>> C :: 173.719 CA :: 45.502 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.689 HA2 :: 3.488 HA3 :: 4.425 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.658 Ave N Shift Values>> N :: 109.67(3.87) 1.D51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.29 D 0.2 R 0.16 K 0.14 F 0.06 C 0.04 Y 0.04 N 0.02 G 0.01 C Shift Assignments>> C :: 175.233 CA :: 54.616 CB :: 42.502 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 :: 7.977 HA :: 4.687 HB2 :: 2.414 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 :: 121.026 Ave N Shift Values>> N :: 120.65(3.86) 1.R52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 R 0.3 G 0.09 K 0.07 C Shift Assignments>> C :: 177.992 CA :: 60.170 CB :: 30.730 CG :: 28.512 CD :: 43.442 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 :: 8.913 HA :: 4.313 HB2 :: 1.892 HB3 :: 1.949 HG2 :: 1.671 HG3 :: 1.671 HD2 :: 3.242 HD3 :: 3.242 HE :: 7.290 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 :: 132.152 NE :: 85.578 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.Q53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 Q 0.21 K 0.19 E 0.07 R 0.05 I 0.05 C Shift Assignments>> C :: 179.279 CA :: 59.448 CB :: 28.071 CG :: 34.189 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 :: 8.594 HA :: 3.938 HB2 :: 2.041 HB3 :: 2.143 HG2 :: 2.323 HG3 :: 2.366 HE21 :: 7.432 HE22 :: 6.934 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 117.357 NE2 :: 111.823 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.S54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 T 0.01 C Shift Assignments>> C :: 175.047 CA :: 63.390 CB :: 62.055 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.705 HA :: 4.019 HB2 :: 3.707 HB3 :: 3.911 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 :: 115.233 Ave N Shift Values>> N :: 116.28(3.52) 1.M55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.7 M 0.29 HN Overlap>> 1.Y16 1.Y16 C Shift Assignments>> C :: 177.198 CA :: 60.225 CB :: 33.035 CG :: 32.598 CE :: 18.485 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 7.979 HA :: 3.431 HB2 :: 2.107 HB3 :: 2.618 HG2 :: 2.826 HG3 :: 2.983 HE1 :: 2.155 HE2 :: 2.155 HE3 :: 2.155 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 :: 120.192 Ave N Shift Values>> N :: 120.09(3.57) 1.I56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.88 C 0.11 C Shift Assignments>> C :: 177.355 CA :: 65.496 CB :: 37.952 CG1 :: 29.451 CG2 :: 17.223 CD1 :: 13.936 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 :: 7.478 HA :: 3.404 HB :: 1.905 HG12 :: 1.007 HG13 :: 1.844 HG21 :: 0.906 HG22 :: 0.906 HG23 :: 0.906 HD11 :: 0.872 HD12 :: 0.872 HD13 :: 0.872 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 117.723 Ave N Shift Values>> N :: 121.46(4.28) 1.L57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.45 C 0.41 R 0.11 G 0.01 C Shift Assignments>> C :: 180.781 CA :: 58.040 CB :: 42.299 CG :: 27.178 CD1 :: 25.900 CD2 :: 22.515 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 :: 7.649 HA :: 3.933 HB2 :: 1.372 HB3 :: 1.870 HG :: 1.808 HD11 :: 0.846 HD12 :: 0.846 HD13 :: 0.846 HD21 :: 0.821 HD22 :: 0.821 HD23 :: 0.821 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 :: 118.675 Ave N Shift Values>> N :: 121.86(3.9) 1.V58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.91 C 0.08 C Shift Assignments>> C :: 177.304 CA :: 66.577 CB :: 31.238 CG1 :: 22.603 CG2 :: 21.370 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 :: 8.395 HA :: 3.482 HB :: 1.529 HG11 :: 0.202 HG12 :: 0.202 HG13 :: 0.202 HG21 :: 0.250 HG22 :: 0.250 HG23 :: 0.250 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 120.916 Ave N Shift Values>> N :: 121.14(4.54) 1.A59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.69 A 0.13 I 0.12 C 0.03 HN Overlap>> 1.A161 1.A161 C Shift Assignments>> C :: 179.602 CA :: 56.534 CB :: 17.744 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.331 HA :: 3.861 HB1 :: 0.628 HB2 :: 0.628 HB3 :: 0.628 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.528 Ave N Shift Values>> N :: 123.23(3.54) 1.R60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 R 0.27 G 0.2 K 0.01 C Shift Assignments>> C :: 179.350 CA :: 59.678 CB :: 30.418 CG :: 28.275 CD :: 44.082 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 :: 8.328 HA :: 4.040 HB2 :: 1.901 HB3 :: 1.901 HG2 :: 1.594 HG3 :: 1.594 HD2 :: 3.183 HD3 :: 3.211 HE :: 7.298 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 :: 114.173 NE :: 84.711 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.A61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.49 A 0.42 I 0.03 C 0.03 C Shift Assignments>> C :: 179.570 CA :: 55.291 CB :: 18.509 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.871 HA :: 4.352 HB1 :: 1.244 HB2 :: 1.244 HB3 :: 1.244 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.940 Ave N Shift Values>> N :: 123.23(3.54) 1.F62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.71 C 0.28 C Shift Assignments>> C :: 177.063 CA :: 62.588 CB :: 38.890 CD1 :: 132.161 CD2 :: 132.161 CE1 :: 131.568 CE2 :: 131.568 CZ :: 129.688 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 :: 8.329 HA :: 4.318 HB2 :: 2.752 HB3 :: 4.030 HD1 :: 7.418 HD2 :: 7.418 HE1 :: 7.457 HE2 :: 7.457 HZ :: 7.489 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 :: 116.799 Ave N Shift Values>> N :: 120.45(4.18) 1.D63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.29 R 0.21 D 0.16 K 0.13 F 0.06 C 0.04 Y 0.04 G 0.01 N 0.01 C Shift Assignments>> C :: 178.082 CA :: 55.130 CB :: 42.710 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 :: 8.404 HA :: 4.520 HB2 :: 2.835 HB3 :: 3.218 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 115.974 Ave N Shift Values>> N :: 120.65(3.86) 1.S64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.64 T 0.35 C Shift Assignments>> C :: 176.547 CA :: 59.853 CB :: 66.496 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.626 HA :: 4.437 HB2 :: 3.996 HB3 :: 4.052 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 :: 111.134 Ave N Shift Values>> N :: 116.28(3.52) 1.G65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.08 C 0.02 C Shift Assignments>> C :: 173.680 CA :: 45.583 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.395 HA2 :: 3.519 HA3 :: 4.112 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.970 Ave N Shift Values>> N :: 109.67(3.87) 1.Q66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.3 K 0.29 C 0.23 M 0.06 R 0.05 E 0.04 HN Overlap>> 1.L14 1.L14 C Shift Assignments>> C :: 175.937 CA :: 55.941 CB :: 29.123 CG :: 33.570 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 :: 7.975 HA :: 4.171 HB2 :: 1.825 HB3 :: 1.825 HG2 :: 2.210 HG3 :: 2.210 HE21 :: 7.431 HE22 :: 6.837 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 :: 121.183 NE2 :: 112.282 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.N67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.25 C 0.2 E 0.14 Y 0.14 F 0.1 M 0.06 D 0.04 I 0.01 L 0.01 K 0.01 C Shift Assignments>> C :: 173.986 CA :: 54.977 CB :: 37.347 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 :: 8.937 HA :: 4.186 HB2 :: 2.946 HB3 :: 2.946 HD21 :: 7.467 HD22 :: 7.002 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 :: 117.256 ND2 :: 114.097 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L68 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.68 C 0.18 G 0.09 A 0.02 C Shift Assignments>> C :: 177.192 CA :: 53.957 CB :: 43.244 CG :: 25.679 CD1 :: 23.829 CD2 :: 24.541 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 :: 7.206 HA :: 3.379 HB2 :: 1.034 HB3 :: 1.034 HG :: 0.966 HD11 :: -0.216(S) HD12 :: -0.216(S) HD13 :: -0.216(S) HD21 :: -0.017 HD22 :: -0.017 HD23 :: -0.017 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 :: 117.413 Ave N Shift Values>> N :: 121.86(3.9) 1.S69 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 56.669 CB :: 62.605 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 5.394(S) HA :: 4.595 HB2 :: 3.807 HB3 :: 4.107 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 :: 114.825 Ave N Shift Values>> N :: 116.28(3.52) 1.P70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.85 C 0.14 C Shift Assignments>> C :: 176.310 CA :: 64.863 CB :: 31.686 CG :: 27.502 CD :: 50.642 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 :: 4.380 HB2 :: 1.966 HB3 :: 2.346 HG2 :: 2.040 HG3 :: 2.040 HD2 :: 3.588 HD3 :: 3.774 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.D71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 N 0.3 L 0.12 F 0.08 Y 0.07 C 0.06 K 0.01 C Shift Assignments>> C :: 175.306 CA :: 53.556 CB :: 40.063 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 :: 8.410 HA :: 4.524 HB2 :: 2.638 HB3 :: 2.737 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 :: 113.978 Ave N Shift Values>> N :: 120.65(3.86) 1.R72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 R 0.27 K 0.23 G 0.1 HN Overlap>> 1.Y42 1.Y42 C Shift Assignments>> C :: 173.906 CA :: 54.092 CB :: 33.549 CG :: 28.317 CD :: 43.304 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 :: 7.592 HA :: 4.732 HB2 :: 1.344 HB3 :: 1.771 HG2 :: 1.454 HG3 :: 1.568 HD2 :: 2.937 HD3 :: 3.187 HE :: 7.736 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 :: 119.676 NE :: 84.905 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.C73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.16 R 0.15 H 0.14 C 0.13 K 0.11 W 0.1 E 0.09 Q 0.07 C Shift Assignments>> C :: 173.296 CA :: 55.687 CB :: 31.480 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.132 HA :: 4.755 HB2 :: 2.900 HB3 :: 3.044 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 :: 115.287 Ave N Shift Values>> N :: 120.17(4.64) 1.Q74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.32 Q 0.26 K 0.2 M 0.12 E 0.04 R 0.01 HN Overlap>> 1.Q102 1.Q102 C Shift Assignments>> C :: 175.779 CA :: 58.190 CB :: 30.193 CG :: 33.388 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 :: 8.365 HA :: 4.027 HB2 :: 1.426 HB3 :: 1.552 HG2 :: 1.696 HG3 :: 2.002 HE21 :: 7.025 HE22 :: 6.359 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 120.313 NE2 :: 110.078 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.D75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.3 D 0.2 R 0.17 K 0.13 F 0.06 C 0.04 Y 0.04 N 0.02 G 0.01 C Shift Assignments>> C :: 176.381 CA :: 54.533 CB :: 42.552 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 :: 8.529 HA :: 4.994 HB2 :: 2.738 HB3 :: 2.840 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 :: 123.250 Ave N Shift Values>> N :: 120.65(3.86) 1.W76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.61 W 0.38 C Shift Assignments>> C :: 178.405 CA :: 58.300 CB :: 29.975 CD1 :: 122.770 CE3 :: 121.099 CZ2 :: 114.489 CZ3 :: 122.323 CH2 :: 124.047 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 9.627 HA :: 4.941 HB2 :: 3.361 HB3 :: 3.661 HD1 :: 7.143 HE1 :: 10.847 HE3 :: 7.413 HZ2 :: 7.459 HZ3 :: 7.104 HH2 :: 7.339 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 127.536 NE1 :: 130.887 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.L77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.5 C 0.47 R 0.01 HN Overlap>> 1.L124 1.L124 C Shift Assignments>> C :: 180.757 CA :: 58.558 CB :: 41.269 CG :: 27.278 CD1 :: 24.476 CD2 :: 25.098 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 :: 8.329 HA :: 4.255 HB2 :: 1.751 HB3 :: 1.940 HG :: 1.505 HD11 :: 0.955 HD12 :: 0.955 HD13 :: 0.955 HD21 :: 0.992 HD22 :: 0.992 HD23 :: 0.992 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 :: 123.376 Ave N Shift Values>> N :: 121.86(3.9) 1.E78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.32 E 0.21 Q 0.19 K 0.18 I 0.05 R 0.02 HN Overlap>> 1.L12 1.L12 1.E104 1.E104 C Shift Assignments>> C :: 179.396 CA :: 57.948 CB :: 28.231 CG :: 35.085 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 :: 8.012 HA :: 4.029 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 :: 121.457 Ave N Shift Values>> N :: 120.67(3.48) 1.A79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.55 A 0.23 I 0.1 C 0.06 V 0.02 C Shift Assignments>> C :: 178.083 CA :: 56.469 CB :: 18.732 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.496 HA :: 4.130 HB1 :: 1.528 HB2 :: 1.528 HB3 :: 1.528 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.625 Ave N Shift Values>> N :: 123.23(3.54) 1.L80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 L 0.36 R 0.09 C Shift Assignments>> C :: 178.270 CA :: 58.994 CB :: 41.847 CG :: 27.494 CD1 :: 25.112 CD2 :: 26.053 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 :: 8.091 HA :: 4.073 HB2 :: 1.893 HB3 :: 1.893 HG :: 1.846 HD11 :: 0.928 HD12 :: 0.928 HD13 :: 0.928 HD21 :: 0.942 HD22 :: 0.942 HD23 :: 0.942 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 116.844 Ave N Shift Values>> N :: 121.86(3.9) 1.H81 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.38 W 0.31 H 0.3 C Shift Assignments>> C :: 178.434 CA :: 58.971 CB :: 28.240 CD2 :: 118.197 CE1 :: 136.683 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 7.669 HA :: 4.223 HB2 :: 3.019 HB3 :: 3.258 HD2 :: 5.210(S) HE1 :: 7.860 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 115.948 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.W82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.51 C 0.48 C Shift Assignments>> C :: 178.269 CA :: 60.722 CB :: 29.891 CD1 :: 128.203 CE3 :: 118.607 CZ2 :: 115.420 CZ3 :: 121.973 CH2 :: 123.980 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 :: 8.076 HA :: 4.409 HB2 :: 2.831 HB3 :: 3.561 HD1 :: 7.221 HE1 :: 10.708 HE3 :: 7.408 HZ2 :: 7.626 HZ3 :: 6.967 HH2 :: 6.981 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 :: 122.943 NE1 :: 128.771 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.Y83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.63 C 0.36 C Shift Assignments>> C :: 178.097 CA :: 61.711 CB :: 38.283 CD1 :: 132.084 CD2 :: 132.084 CE1 :: 117.098 CE2 :: 117.098 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 :: 9.121 HA :: 4.286 HB2 :: 2.757 HB3 :: 2.966 HD1 :: 6.771 HD2 :: 6.771 HE1 :: 6.496 HE2 :: 6.496 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 121.333 Ave N Shift Values>> N :: 120.52(4.2) 1.N84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.28 F 0.24 C 0.17 I 0.07 D 0.06 N 0.05 L 0.04 E 0.02 M 0.01 C Shift Assignments>> C :: 177.816 CA :: 57.026 CB :: 38.729 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 :: 8.645 HA :: 4.306 HB2 :: 2.679 HB3 :: 2.975 HD21 :: 7.622 HD22 :: 6.684 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 :: 115.924 ND2 :: 114.283 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.T85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.97 C 0.02 C Shift Assignments>> C :: 176.241 CA :: 67.258 CB :: 68.646 CG2 :: 21.977 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 :: 7.991 HA :: 3.766 HB :: 4.178 HG21 :: 1.303 HG22 :: 1.303 HG23 :: 1.303 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 :: 116.474 Ave N Shift Values>> N :: 115.42(4.75) 1.A86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.55 A 0.35 I 0.04 C 0.03 HN Overlap>> 1.L29 1.L29 C Shift Assignments>> C :: 181.138 CA :: 55.446 CB :: 18.249 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.183 HA :: 4.215 HB1 :: 1.457 HB2 :: 1.457 HB3 :: 1.457 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.122 Ave N Shift Values>> N :: 123.23(3.54) 1.L87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.61 C 0.34 G 0.02 K 0.01 C Shift Assignments>> C :: 179.052 CA :: 57.546 CB :: 42.439 CD1 :: 25.451 CD2 :: 24.582 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.392 HA :: 3.975 HB2 :: 1.392 HB3 :: 2.056 HD11 :: 0.662 HD12 :: 0.662 HD13 :: 0.662 HD21 :: 0.890 HD22 :: 0.890 HD23 :: 0.890 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 :: 119.444 Ave N Shift Values>> N :: 121.86(3.9) 1.E88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.4 C 0.36 K 0.06 I 0.06 M 0.05 Q 0.04 C Shift Assignments>> C :: 177.194 CA :: 57.659 CB :: 29.902 CG :: 36.420 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 :: 7.810 HA :: 4.149 HB2 :: 2.089 HB3 :: 2.126 HG2 :: 2.275 HG3 :: 2.474 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 :: 118.908 Ave N Shift Values>> N :: 120.67(3.48) 1.M89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.49 C 0.35 A 0.15 C Shift Assignments>> C :: 176.218 CA :: 55.631 CB :: 32.964 CG :: 32.253 CE :: 17.398 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 7.457 HA :: 4.571 HB2 :: 2.087 HB3 :: 2.269 HG2 :: 2.704 HG3 :: 2.704 HE1 :: 2.193 HE2 :: 2.193 HE3 :: 2.193 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 118.725 Ave N Shift Values>> N :: 120.09(3.57) 1.T90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.91 C 0.08 C Shift Assignments>> C :: 174.310 CA :: 62.282 CB :: 69.909 CG2 :: 21.650 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 :: 8.067 HA :: 4.309 HB :: 4.270 HG21 :: 1.212 HG22 :: 1.212 HG23 :: 1.212 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 :: 115.143 Ave N Shift Values>> N :: 115.42(4.75) 1.D91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 L 0.22 K 0.1 F 0.1 N 0.1 Y 0.07 C 0.05 R 0.01 HN Overlap>> 1.D93 1.L134 1.D93 1.L134 C Shift Assignments>> C :: 175.985 CA :: 54.490 CB :: 41.097 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 :: 8.476 HA :: 4.636 HB2 :: 2.652 HB3 :: 2.740 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 122.893 Ave N Shift Values>> N :: 120.65(3.86) 1.C92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.15 K 0.14 W 0.13 Q 0.12 E 0.11 H 0.09 R 0.09 I 0.08 L 0.02 M 0.01 C Shift Assignments>> C :: 174.261 CA :: 58.265 CB :: 28.441 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.276 HA :: 4.550 HB2 :: 2.923 HB3 :: 2.923 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 :: 118.684 Ave N Shift Values>> N :: 120.17(4.64) 1.D93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.29 L 0.23 K 0.13 F 0.09 N 0.08 Y 0.07 C 0.05 R 0.02 HN Overlap>> 1.D91 1.D91 C Shift Assignments>> C :: 176.394 CA :: 54.581 CB :: 41.296 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 :: 8.471 HA :: 4.650 HB2 :: 2.654 HB3 :: 2.742 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 122.892 Ave N Shift Values>> N :: 120.65(3.86) 1.E94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.38 C 0.33 M 0.08 K 0.07 Q 0.07 I 0.03 C Shift Assignments>> C :: 177.169 CA :: 57.074 CB :: 30.125 CG :: 36.074 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 :: 8.448 HA :: 4.297 HB2 :: 1.953 HB3 :: 2.102 HG2 :: 2.285 HG3 :: 2.285 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 :: 121.584 Ave N Shift Values>> N :: 120.67(3.48) 1.G95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.08 C 0.02 C Shift Assignments>> C :: 174.815 CA :: 45.470 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.544 HA2 :: 4.001 HA3 :: 4.001 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.966 Ave N Shift Values>> N :: 109.67(3.87) 1.G96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.84 L 0.09 C 0.02 R 0.01 C Shift Assignments>> C :: 174.163 CA :: 45.338 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.240 HA2 :: 3.919 HA3 :: 3.993 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.827 Ave N Shift Values>> N :: 109.67(3.87) 1.E97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.38 C 0.32 M 0.1 Q 0.07 K 0.07 I 0.02 HN Overlap>> 1.E5 1.E5 C Shift Assignments>> C :: 176.319 CA :: 56.736 CB :: 30.244 CG :: 36.052 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 :: 8.397 HA :: 4.282 HB2 :: 1.837 HB3 :: 1.902 HG2 :: 2.100 HG3 :: 2.147 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 :: 120.548 Ave N Shift Values>> N :: 120.67(3.48) 1.Y98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.63 C 0.36 HN Overlap>> 1.K147 1.K147 C Shift Assignments>> C :: 175.695 CA :: 57.676 CB :: 38.805 CD1 :: 132.573 CD2 :: 132.573 CE1 :: 118.231 CE2 :: 118.231 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 :: 8.205 HA :: 4.606 HB2 :: 2.933 HB3 :: 3.061 HD1 :: 7.097 HD2 :: 7.097 HE1 :: 6.810 HE2 :: 6.810 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 120.705 Ave N Shift Values>> N :: 120.52(4.2) 1.D99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 L 0.22 K 0.11 F 0.1 N 0.09 Y 0.07 C 0.05 R 0.01 C Shift Assignments>> C :: 176.714 CA :: 54.588 CB :: 41.146 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 :: 8.319 HA :: 4.513 HB2 :: 2.647 HB3 :: 2.647 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 122.963 Ave N Shift Values>> N :: 120.65(3.86) 1.G100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 L 0.07 C 0.03 C Shift Assignments>> C :: 174.664 CA :: 45.757 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.040 HA2 :: 3.844 HA3 :: 3.958 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.229 Ave N Shift Values>> N :: 109.67(3.87) 1.M101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.5 C 0.39 A 0.09 HN Overlap>> 1.D26 1.D26 1.L44 1.L44 C Shift Assignments>> C :: 176.406 CA :: 55.978 CB :: 32.676 CG :: 31.930 CE :: 16.879 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.083 HA :: 4.428 HB2 :: 1.972 HB3 :: 2.067 HG2 :: 2.476 HG3 :: 2.553 HE1 :: 2.057 HE2 :: 2.057 HE3 :: 2.057 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 :: 119.376 Ave N Shift Values>> N :: 120.09(3.57) 1.Q102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.3 K 0.27 C 0.24 E 0.07 M 0.05 R 0.03 HN Overlap>> 1.Q74 1.Q74 C Shift Assignments>> C :: 175.571 CA :: 56.095 CB :: 29.221 CG :: 33.868 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 :: 8.373 HA :: 4.288 HB2 :: 1.945 HB3 :: 2.089 HG2 :: 2.325 HG3 :: 2.325 HE21 :: 7.544 HE22 :: 6.815 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 120.282 NE2 :: 112.500 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.D103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.28 L 0.24 K 0.15 F 0.09 Y 0.06 N 0.06 C 0.05 R 0.03 HN Overlap>> 1.Y154 1.E7 1.Y154 1.E7 C Shift Assignments>> C :: 175.646 CA :: 54.563 CB :: 41.545 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 :: 8.216 HA :: 4.526 HB2 :: 2.591 HB3 :: 2.619 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 :: 121.001 Ave N Shift Values>> N :: 120.65(3.86) 1.E104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.33 C 0.22 K 0.18 M 0.15 E 0.09 HN Overlap>> 1.E166 1.E78 1.E166 1.E78 1.K36 1.K36 C Shift Assignments>> C :: 173.182 CA :: 53.885 CB :: 29.978 CG :: 34.285 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 :: 8.055 HA :: 4.601 HB2 :: 1.799 HB3 :: 1.926 HG2 :: 2.227 HG3 :: 2.227 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 :: 121.402 Ave N Shift Values>> N :: 120.67(3.48) 1.P105 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> P 0.64 C 0.35 C Shift Assignments>> C :: 178.328 CA :: 62.241 CB :: 32.692 CG :: 27.429 CD :: 50.515 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 :: 4.317 HB2 :: 0.834(S) HB3 :: 0.834 HG2 :: 1.417 HG3 :: 1.852 HD2 :: 3.439 HD3 :: 3.620 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.R106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 R 0.27 K 0.11 G 0.06 C Shift Assignments>> C :: 178.522 CA :: 60.400 CB :: 30.250 CG :: 28.733 CD :: 43.084 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 :: 8.969 HA :: 3.716 HB2 :: 1.737 HB3 :: 1.916 HG2 :: 1.348 HG3 :: 1.724 HD2 :: 3.257 HD3 :: 3.295 HE :: 7.493 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 122.872 NE :: 83.623 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.Y107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 Y 0.42 C Shift Assignments>> C :: 175.628 CA :: 59.295 CB :: 37.423 CD1 :: 134.143 CD2 :: 134.143 CE1 :: 118.918 CE2 :: 118.918 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 :: 7.188 HA :: 4.110 HB2 :: 2.986 HB3 :: 3.339 HD1 :: 7.175 HD2 :: 7.175 HE1 :: 6.802 HE2 :: 6.802 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 :: 109.963 Ave N Shift Values>> N :: 120.52(4.2) 1.M108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 M 0.47 A 0.02 C Shift Assignments>> C :: 178.952 CA :: 57.664 CB :: 32.159 CG :: 32.555 CE :: 16.963 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 :: 6.324 HA :: 4.215 HB2 :: 1.781 HB3 :: 1.965 HG2 :: 2.325 HG3 :: 2.455 HE1 :: 2.106 HE2 :: 2.106 HE3 :: 2.106 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 :: 119.416 Ave N Shift Values>> N :: 120.09(3.57) 1.M109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.66 M 0.33 C Shift Assignments>> C :: 177.449 CA :: 59.594 CB :: 34.558 CG :: 33.022 CE :: 17.226 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 7.094 HA :: 3.626 HB2 :: 1.635 HB3 :: 2.089 HG2 :: 2.215 HG3 :: 2.361 HE1 :: 1.943 HE2 :: 1.943 HE3 :: 1.943 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 :: 120.061 Ave N Shift Values>> N :: 120.09(3.57) 1.L110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.54 C 0.37 G 0.05 K 0.01 C Shift Assignments>> C :: 177.715 CA :: 57.875 CB :: 42.999 CD1 :: 25.843 CD2 :: 23.779 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 :: 7.840 HA :: 3.744 HB2 :: 1.124 HB3 :: 1.491 HD11 :: 0.615 HD12 :: 0.615 HD13 :: 0.615 HD21 :: 0.752 HD22 :: 0.752 HD23 :: 0.752 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 :: 119.640 Ave N Shift Values>> N :: 121.86(3.9) 1.A111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.61 M 0.34 C 0.02 I 0.01 C Shift Assignments>> C :: 178.786 CA :: 54.251 CB :: 18.503 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.471 HA :: 3.225 HB1 :: 1.042 HB2 :: 1.042 HB3 :: 1.042 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 117.853 Ave N Shift Values>> N :: 123.23(3.54) 1.R112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.34 K 0.3 C 0.26 R 0.07 G 0.01 HN Overlap>> 1.K45 1.K45 C Shift Assignments>> C :: 177.988 CA :: 56.908 CB :: 27.784 CG :: 25.075 CD :: 42.495 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 :: 7.344 HA :: 3.981 HB2 :: 1.587 HB3 :: 1.587 HD2 :: 2.828 HD3 :: 3.344 HE :: 8.671 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 :: 117.961 NE :: 85.667 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.E113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 Q 0.2 K 0.14 E 0.14 M 0.07 I 0.02 C Shift Assignments>> C :: 177.759 CA :: 59.625 CB :: 30.129 CG :: 34.316 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 :: 7.468 HA :: 3.632 HB2 :: 1.571 HB3 :: 2.232 HG2 :: 1.650 HG3 :: 2.540 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 116.702 Ave N Shift Values>> N :: 120.67(3.48) 1.A114 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> M 0.8 A 0.13 I 0.04 C 0.01 HN Overlap>> 1.R130 1.R130 C Shift Assignments>> C :: 180.702 CA :: 55.482 CB :: 15.973 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.677 HA :: 3.464 HB1 :: 0.295(S) HB2 :: 0.295(S) HB3 :: 0.295(S) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.898 Ave N Shift Values>> N :: 123.23(3.54) 1.E115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 E 0.37 I 0.1 M 0.04 K 0.04 Q 0.03 C Shift Assignments>> C :: 180.066 CA :: 59.313 CB :: 30.252 CG :: 36.254 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 :: 8.214 HA :: 3.936 HB2 :: 1.975 HB3 :: 2.265 HG2 :: 2.385 HG3 :: 2.385 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 :: 122.286 Ave N Shift Values>> N :: 120.67(3.48) 1.M116 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.7 M 0.25 I 0.03 HN Overlap>> 1.F118 1.F118 C Shift Assignments>> C :: 178.804 CA :: 59.414 CB :: 33.841 CG :: 30.292 CE :: 16.277 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.024 HA :: 3.806 HB2 :: 1.679 HB3 :: 1.812 HG2 :: 1.983 HG3 :: 0.418(S) HE1 :: 1.327 HE2 :: 1.327 HE3 :: 1.327 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 :: 120.299 Ave N Shift Values>> N :: 120.09(3.57) 1.L117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.41 C 0.34 K 0.15 R 0.04 G 0.03 C Shift Assignments>> C :: 177.009 CA :: 56.657 CB :: 42.881 CD1 :: 26.846 CD2 :: 24.763 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 :: 7.795 HA :: 4.037 HB2 :: 1.557 HB3 :: 1.692 HD11 :: 0.699 HD12 :: 0.699 HD13 :: 0.699 HD21 :: 1.079 HD22 :: 1.079 HD23 :: 1.079 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 :: 117.540 Ave N Shift Values>> N :: 121.86(3.9) 1.F118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.72 C 0.27 HN Overlap>> 1.M116 1.M116 C Shift Assignments>> C :: 176.537 CA :: 61.301 CB :: 39.510 CD1 :: 132.150 CD2 :: 132.150 CE1 :: 131.089 CE2 :: 131.089 CZ :: 129.690 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 7.973 HA :: 4.093 HB2 :: 3.410 HB3 :: 3.676 HD1 :: 7.348 HD2 :: 7.348 HE1 :: 7.308 HE2 :: 7.308 HZ :: 7.281 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 :: 120.378 Ave N Shift Values>> N :: 120.45(4.18) 1.T119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.92 C 0.07 C Shift Assignments>> C :: 177.829 CA :: 62.787 CB :: 71.072 CG2 :: 21.203 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 :: 7.366 HA :: 4.403 HB :: 4.466 HG21 :: 1.555 HG22 :: 1.555 HG23 :: 1.555 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 :: 102.594 Ave N Shift Values>> N :: 115.42(4.75) 1.G120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.65 L 0.18 R 0.06 C 0.04 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> C :: 172.111 CA :: 44.768 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.682 HA2 :: 3.749 HA3 :: 4.284 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.337 Ave N Shift Values>> N :: 109.67(3.87) 1.G121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.63 L 0.19 R 0.07 C 0.04 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> C :: 172.351 CA :: 44.725 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.712 HA2 :: 3.340 HA3 :: 3.721 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.732 Ave N Shift Values>> N :: 109.67(3.87) 1.Y122 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.5 Y 0.48 C Shift Assignments>> C :: 176.205 CA :: 58.994 CB :: 36.091 CD1 :: 132.732 CD2 :: 132.732 CE1 :: 117.653 CE2 :: 117.653 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 :: 7.916 HA :: 3.742 HB2 :: 2.182 HB3 :: 2.618 HD1 :: 5.632(S) HD2 :: 5.632(S) HE1 :: 6.438 HE2 :: 6.438 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 :: 116.122 Ave N Shift Values>> N :: 120.52(4.2) 1.G123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.76 L 0.13 C 0.03 R 0.03 F 0.01 C Shift Assignments>> C :: 173.294 CA :: 45.029 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.218 HA2 :: 3.478 HA3 :: 4.593 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 104.584 Ave N Shift Values>> N :: 109.67(3.87) 1.L124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.64 C 0.19 L 0.14 HN Overlap>> 1.L77 1.L77 C Shift Assignments>> C :: 176.629 CA :: 53.582 CB :: 45.619 CG :: 26.932 CD1 :: 24.771 CD2 :: 27.195 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 :: 8.278 HA :: 4.576 HB2 :: 1.308 HB3 :: 2.635 HG :: 1.343 HD11 :: 1.068 HD12 :: 1.068 HD13 :: 1.068 HD21 :: 1.011 HD22 :: 1.011 HD23 :: 1.011 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 :: 123.298 Ave N Shift Values>> N :: 121.86(3.9) 1.E125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.41 C 0.32 M 0.09 K 0.07 Q 0.06 I 0.02 C Shift Assignments>> C :: 176.164 CA :: 55.936 CB :: 30.065 CG :: 36.240 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.700 HA :: 4.356 HB2 :: 1.941 HB3 :: 2.053 HG2 :: 2.360 HG3 :: 2.416 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 :: 129.307 Ave N Shift Values>> N :: 120.67(3.48) 1.K126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.48 C 0.45 R 0.05 C Shift Assignments>> C :: 176.516 CA :: 57.052 CB :: 32.909 CG :: 24.404 CD :: 29.755 CE :: 41.943 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 :: 8.494 HA :: 4.085 HB2 :: 1.509 HB3 :: 1.659 HG2 :: 1.243 HG3 :: 1.243 HD2 :: 1.600 HD3 :: 1.600 HE2 :: 2.923 HE3 :: 2.923 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 :: 122.668 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 L 0.26 R 0.09 N 0.08 K 0.06 C 0.05 G 0.05 F 0.03 Y 0.01 C Shift Assignments>> C :: 172.629 CA :: 51.428 CB :: 42.443 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 :: 8.823 HA :: 4.897 HB2 :: 2.513 HB3 :: 2.992 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 :: 120.372 Ave N Shift Values>> N :: 120.65(3.86) 1.P128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.86 C 0.13 C Shift Assignments>> C :: 177.848 CA :: 65.332 CB :: 32.540 CG :: 27.640 CD :: 50.557 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 :: 4.211 HB2 :: 2.110 HB3 :: 2.679 HG2 :: 1.888 HG3 :: 2.175 HD2 :: 3.466 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.Q129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 K 0.24 Q 0.22 E 0.05 R 0.04 I 0.03 M 0.01 C Shift Assignments>> C :: 178.126 CA :: 59.688 CB :: 28.767 CG :: 33.811 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 :: 8.077 HA :: 4.221 HB2 :: 2.306 HB3 :: 2.306 HG2 :: 2.387 HG3 :: 2.471 HE21 :: 7.881 HE22 :: 6.642 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 :: 116.604 NE2 :: 114.545 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.R130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 R 0.36 G 0.15 K 0.01 HN Overlap>> 1.A114 1.A114 C Shift Assignments>> C :: 178.478 CA :: 58.508 CB :: 31.297 CG :: 27.241 CD :: 44.065 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 :: 7.652 HA :: 4.192 HB2 :: 1.629 HB3 :: 1.796 HG2 :: 1.865 HG3 :: 1.865 HD2 :: 3.107 HD3 :: 3.196 HE :: 7.211 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 :: 119.917 NE :: 84.245 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.S131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.946 CA :: 62.752 CB :: 63.308 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.548 HA :: 3.812 HB2 :: 3.999 HB3 :: 3.999 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 :: 112.136 Ave N Shift Values>> N :: 116.28(3.52) 1.G132 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.59 P 0.13 C 0.1 A 0.08 L 0.03 N 0.02 C Shift Assignments>> C :: 176.429 CA :: 47.881 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.267 HA2 :: 2.577(S) HA3 :: 3.365 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 104.687 Ave N Shift Values>> N :: 109.67(3.87) 1.D133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.29 Y 0.26 C 0.12 L 0.09 I 0.08 D 0.06 K 0.05 C Shift Assignments>> C :: 179.449 CA :: 58.173 CB :: 40.447 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 :: 8.312 HA :: 4.687 HB2 :: 2.857 HB3 :: 3.057 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 :: 124.524 Ave N Shift Values>> N :: 120.65(3.86) 1.L134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 L 0.36 R 0.14 HN Overlap>> 1.D91 1.D91 C Shift Assignments>> C :: 179.482 CA :: 58.082 CB :: 41.880 CG :: 27.442 CD1 :: 26.742 CD2 :: 22.670 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 :: 8.577 HA :: 3.984 HB2 :: 1.162 HB3 :: 1.621 HG :: 1.593 HD11 :: 0.621 HD12 :: 0.621 HD13 :: 0.621 HD21 :: 0.716 HD22 :: 0.716 HD23 :: 0.716 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.941 Ave N Shift Values>> N :: 121.86(3.9) 1.Y135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.61 C 0.21 Y 0.07 F 0.05 V 0.02 C Shift Assignments>> C :: 178.770 CA :: 63.189 CB :: 37.418 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 :: 8.927 HA :: 3.892 HB2 :: 2.503 HB3 :: 3.209 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 121.435 Ave N Shift Values>> N :: 120.52(4.2) 1.T136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.97 C 0.02 C Shift Assignments>> C :: 175.946 CA :: 68.036 CB :: 68.345 CG2 :: 21.417 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 :: 7.964 HA :: 3.729 HB :: 4.701 HG21 :: 1.494 HG22 :: 1.494 HG23 :: 1.494 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 :: 117.064 Ave N Shift Values>> N :: 115.42(4.75) 1.Q137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 K 0.2 Q 0.19 E 0.15 I 0.05 M 0.01 R 0.01 C Shift Assignments>> C :: 179.928 CA :: 59.468 CB :: 29.142 CG :: 34.563 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 :: 7.918 HA :: 4.052 HB2 :: 2.148 HB3 :: 2.148 HG2 :: 2.642 HG3 :: 2.390 HE21 :: 7.293 HE22 :: 6.666 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 :: 121.315 NE2 :: 110.854 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.A138 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.7 A 0.21 I 0.05 C 0.02 C Shift Assignments>> C :: 178.572 CA :: 55.605 CB :: 17.240 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.923 HA :: 3.770 HB1 :: 1.044 HB2 :: 1.044 HB3 :: 1.044 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.044 Ave N Shift Values>> N :: 123.23(3.54) 1.A139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.77 A 0.12 I 0.08 C 0.02 C Shift Assignments>> C :: 179.485 CA :: 56.073 CB :: 16.816 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.504 HA :: 3.838 HB1 :: 0.764 HB2 :: 0.764 HB3 :: 0.764 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.163 Ave N Shift Values>> N :: 123.23(3.54) 1.E140 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 E 0.31 I 0.21 K 0.05 Q 0.02 C Shift Assignments>> C :: 179.829 CA :: 59.711 CB :: 29.300 CG :: 36.435 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 :: 8.138 HA :: 3.899 HB2 :: 2.096 HB3 :: 2.096 HG2 :: 2.362 HG3 :: 2.669 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 117.416 Ave N Shift Values>> N :: 120.67(3.48) 1.A141 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.49 A 0.45 I 0.02 C 0.02 C Shift Assignments>> C :: 180.508 CA :: 54.677 CB :: 18.010 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.130 HA :: 4.332 HB1 :: 1.563 HB2 :: 1.563 HB3 :: 1.563 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.072 Ave N Shift Values>> N :: 123.23(3.54) 1.A142 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.76 A 0.18 I 0.03 C 0.01 C Shift Assignments>> C :: 179.444 CA :: 55.183 CB :: 16.300 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.056 HA :: 3.553 HB1 :: 1.147 HB2 :: 1.147 HB3 :: 1.147 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.753 Ave N Shift Values>> N :: 123.23(3.54) 1.M143 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 M 0.45 A 0.01 HN Overlap>> 1.E48 1.E48 C Shift Assignments>> C :: 181.199 CA :: 57.934 CB :: 31.275 CG :: 32.014 CE :: 16.764 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.549 HA :: 4.037 HB2 :: 2.223 HB3 :: 2.223 HG2 :: 2.708 HG3 :: 2.708 HE1 :: 2.160 HE2 :: 2.160 HE3 :: 2.160 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 :: 119.226 Ave N Shift Values>> N :: 120.09(3.57) 1.E144 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 E 0.34 I 0.16 K 0.07 Q 0.03 M 0.01 HN Overlap>> 1.I23 1.I23 C Shift Assignments>> C :: 177.200 CA :: 59.274 CB :: 29.317 CG :: 36.226 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 :: 7.977 HA :: 4.075 HB2 :: 2.198 HB3 :: 2.198 HG2 :: 2.365 HG3 :: 2.512 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 :: 122.141 Ave N Shift Values>> N :: 120.67(3.48) 1.A145 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.91 M 0.06 C 0.01 C Shift Assignments>> C :: 175.591 CA :: 51.701 CB :: 19.184 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.320 HA :: 4.502 HB1 :: 1.618 HB2 :: 1.618 HB3 :: 1.618 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.807 Ave N Shift Values>> N :: 123.23(3.54) 1.M146 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.61 M 0.25 A 0.11 C Shift Assignments>> C :: 175.971 CA :: 56.253 CB :: 28.399 CG :: 32.653 CE :: 16.927 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 7.953 HA :: 4.094 HB2 :: 2.326 HB3 :: 2.453 HG2 :: 2.477 HG3 :: 2.611 HE1 :: 2.125 HE2 :: 2.125 HE3 :: 2.125 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 :: 112.792 Ave N Shift Values>> N :: 120.09(3.57) 1.K147 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.4 C 0.3 A 0.1 K 0.1 G 0.06 L 0.02 HN Overlap>> 1.Y98 1.Y98 C Shift Assignments>> C :: 176.921 CA :: 52.499 CB :: 29.622 CG :: 23.214 CD :: 28.479 CE :: 42.604 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 :: 8.212 HA :: 4.743 HB2 :: 1.490 HB3 :: 1.669 HG2 :: 1.276 HG3 :: 1.254 HD2 :: 1.508 HD3 :: 1.597 HE2 :: 2.993 HE3 :: 3.102 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.773 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G148 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.51 P 0.2 C 0.1 A 0.09 N 0.03 L 0.02 D 0.01 C Shift Assignments>> C :: 176.147 CA :: 47.996 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.890 HA2 :: 3.698 HA3 :: 3.869 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.587 Ave N Shift Values>> N :: 109.67(3.87) 1.R149 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 R 0.42 G 0.05 K 0.03 L 0.01 HN Overlap>> 1.A151 1.A151 C Shift Assignments>> C :: 179.588 CA :: 59.317 CB :: 29.204 CG :: 27.428 CD :: 43.181 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 :: 8.079 HA :: 4.080 HB2 :: 1.799 HB3 :: 1.848 HG2 :: 1.505 HG3 :: 1.673 HD2 :: 3.149 HD3 :: 3.149 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 :: 119.245 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.L150 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.62 C 0.36 C Shift Assignments>> C :: 177.679 CA :: 56.918 CB :: 41.117 CG :: 26.587 CD1 :: 24.309 CD2 :: 24.290 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 :: 7.405 HA :: 3.682 HB2 :: 1.152 HB3 :: 1.279 HG :: 1.077 HD11 :: 0.661 HD12 :: 0.661 HD13 :: 0.661 HD21 :: 0.671 HD22 :: 0.671 HD23 :: 0.671 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 :: 121.476 Ave N Shift Values>> N :: 121.86(3.9) 1.A151 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.51 A 0.33 I 0.06 C 0.05 V 0.02 HN Overlap>> 1.R149 1.R149 C Shift Assignments>> C :: 178.437 CA :: 55.981 CB :: 18.813 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.078 HA :: 3.679 HB1 :: 1.428 HB2 :: 1.428 HB3 :: 1.428 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.154 Ave N Shift Values>> N :: 123.23(3.54) 1.N152 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.27 F 0.22 C 0.18 N 0.07 D 0.06 I 0.06 E 0.04 L 0.03 M 0.01 C Shift Assignments>> C :: 178.137 CA :: 56.747 CB :: 38.444 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 :: 7.754 HA :: 4.616 HB2 :: 2.813 HB3 :: 2.867 HD21 :: 7.580 HD22 :: 6.847 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 :: 113.665 ND2 :: 112.039 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.Q153 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 Q 0.23 K 0.2 R 0.07 E 0.06 I 0.04 C Shift Assignments>> C :: 178.916 CA :: 58.975 CB :: 28.015 CG :: 34.077 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 :: 7.501 HA :: 3.985 HB2 :: 2.053 HB3 :: 1.894 HG2 :: 2.099 HG3 :: 2.359 HE21 :: 7.087 HE22 :: 6.680 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 120.499 NE2 :: 110.372 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Y154 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.91 Y 0.07 W 0.01 HN Overlap>> 1.E7 1.D103 1.Q18 1.E7 1.D103 1.Q18 C Shift Assignments>> C :: 178.446 CA :: 58.169 CB :: 35.958 CD1 :: 130.314 CD2 :: 130.314 CE1 :: 118.053 CE2 :: 118.053 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.235 HA :: 4.342 HB2 :: 2.794 HB3 :: 3.498 HD1 :: 6.557 HD2 :: 6.557 HE1 :: 6.578 HE2 :: 6.578 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 121.086 Ave N Shift Values>> N :: 120.52(4.2) 1.Y155 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.63 C 0.36 C Shift Assignments>> C :: 179.541 CA :: 62.309 CB :: 37.472 CD1 :: 133.155 CD2 :: 133.155 CE1 :: 117.876 CE2 :: 117.876 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 :: 8.883 HA :: 4.273 HB2 :: 2.980 HB3 :: 3.161 HD1 :: 7.202 HD2 :: 7.202 HE1 :: 6.835 HE2 :: 6.835 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 120.185 Ave N Shift Values>> N :: 120.52(4.2) 1.Q156 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 Q 0.24 K 0.21 R 0.07 E 0.05 I 0.03 M 0.01 C Shift Assignments>> C :: 178.955 CA :: 58.986 CB :: 28.068 CG :: 33.942 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 :: 7.759 HA :: 4.078 HB2 :: 2.110 HB3 :: 2.171 HG2 :: 2.324 HG3 :: 2.474 HE21 :: 7.501 HE22 :: 6.762 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 119.748 NE2 :: 112.200 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.K157 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.49 R 0.25 K 0.13 L 0.1 C Shift Assignments>> C :: 178.743 CA :: 57.849 CB :: 28.437 CG :: 24.934 CD :: 27.908 CE :: 41.946 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 :: 7.859 HA :: 3.631 HB2 :: 0.124(S) HB3 :: 0.885 HG2 :: 1.032 HG3 :: 1.173 HD2 :: 1.134 HD3 :: 1.337 HE2 :: 2.632 HE3 :: 2.632 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 :: 120.641 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A158 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.62 A 0.29 I 0.04 C 0.02 C Shift Assignments>> C :: 177.940 CA :: 55.408 CB :: 17.749 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.967 HA :: 3.601 HB1 :: 1.021 HB2 :: 1.021 HB3 :: 1.021 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.880 Ave N Shift Values>> N :: 123.23(3.54) 1.E159 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 E 0.32 I 0.14 K 0.09 Q 0.05 M 0.01 C Shift Assignments>> C :: 180.062 CA :: 59.319 CB :: 29.222 CG :: 35.962 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 :: 7.184 HA :: 4.169 HB2 :: 2.214 HB3 :: 2.214 HG2 :: 2.435 HG3 :: 2.534 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 :: 114.393 Ave N Shift Values>> N :: 120.67(3.48) 1.E160 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 E 0.35 I 0.15 K 0.05 Q 0.02 M 0.02 C Shift Assignments>> C :: 179.045 CA :: 59.218 CB :: 29.642 CG :: 36.476 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 :: 7.841 HA :: 4.035 HB2 :: 2.085 HB3 :: 2.085 HG2 :: 2.209 HG3 :: 2.473 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 :: 120.058 Ave N Shift Values>> N :: 120.67(3.48) 1.A161 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.72 A 0.18 I 0.06 C 0.02 HN Overlap>> 1.A59 1.A59 C Shift Assignments>> C :: 179.882 CA :: 55.742 CB :: 17.152 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.253 HA :: 4.155 HB1 :: 1.561 HB2 :: 1.561 HB3 :: 1.561 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.464 Ave N Shift Values>> N :: 123.23(3.54) 1.W162 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 W 0.43 C Shift Assignments>> C :: 179.279 CA :: 58.460 CB :: 28.351 CD1 :: 123.874 CE3 :: 121.140 CZ2 :: 114.472 CZ3 :: 122.208 CH2 :: 125.470 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 :: 8.406 HA :: 4.656 HB2 :: 3.258 HB3 :: 3.410 HD1 :: 7.276 HE1 :: 9.910 HE3 :: 7.528 HZ2 :: 7.652 HZ3 :: 7.192 HH2 :: 7.317 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 :: 116.557 NE1 :: 126.675 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.A163 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.62 M 0.34 C 0.01 I 0.01 HN Overlap>> 1.K30 1.K30 1.L12 1.L12 C Shift Assignments>> C :: 179.044 CA :: 54.001 CB :: 18.310 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.117 HA :: 4.364 HB1 :: 1.615 HB2 :: 1.615 HB3 :: 1.615 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.518 Ave N Shift Values>> N :: 123.23(3.54) 1.Q164 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.29 K 0.26 C 0.25 E 0.1 R 0.04 M 0.02 C Shift Assignments>> C :: 176.818 CA :: 56.504 CB :: 28.795 CG :: 34.195 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 :: 7.778 HA :: 4.290 HB2 :: 2.547 HB3 :: 2.336 HG2 :: 2.549 HG3 :: 2.549 HE21 :: 7.133 HE22 :: 6.580 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 115.872 NE2 :: 111.503 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.M165 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.51 C 0.44 A 0.04 C Shift Assignments>> C :: 176.079 CA :: 56.507 CB :: 33.179 CG :: 31.774 CE :: 16.284 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 7.780 HA :: 4.408 HB2 :: 2.195 HB3 :: 2.260 HG2 :: 2.645 HG3 :: 2.774 HE1 :: 2.162 HE2 :: 2.162 HE3 :: 2.162 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 118.167 Ave N Shift Values>> N :: 120.09(3.57) 1.E166 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.38 C 0.33 M 0.15 Q 0.06 K 0.04 I 0.01 HN Overlap>> 1.E104 1.K36 1.E104 1.K36 C Shift Assignments>> C :: 175.507 CA :: 56.370 CB :: 30.702 CG :: 36.110 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 :: 8.118 HA :: 4.364 HB2 :: 1.958 HB3 :: 2.135 HG2 :: 2.283 HG3 :: 2.344 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 :: 121.340 Ave N Shift Values>> N :: 120.67(3.48) 1.E167 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 E 0.38 M 0.11 I 0.03 Q 0.02 K 0.01 C Shift Assignments>> C :: 181.224 CA :: 58.196 CB :: 31.093 CG :: 36.507 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 :: 7.975 HA :: 4.113 HB2 :: 1.897 HB3 :: 2.036 HG2 :: 2.233 HG3 :: 2.233 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 127.181 Ave N Shift Values>> N :: 120.67(3.48) ########################################################################### Overall Results: #Consistent: 158 #Clerical: 0 #Suspicious: 9 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 166 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 1 Shift Relative Order (SRO) Results: #Consistent: 167 #Suspicious: 0 C Shift Results: #Consistent: 712 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent:1110 #Duplicate: 0 #Unknown: 0 #Suspicious: 14 #Anomalous: 0 N Shift Results: #Consistent: 183 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.L68 HD11 = -0.216(S), Expected = 0.75, Std = 0.2800, ChiSquare = 5.6059e-04 1.L68 HD12 = -0.216(S), Expected = 0.75, Std = 0.2800, ChiSquare = 5.6059e-04 1.L68 HD13 = -0.216(S), Expected = 0.75, Std = 0.2800, ChiSquare = 5.6059e-04 1.S69 H = 5.394(S), Expected = 8.28, Std = 0.5900, ChiSquare = 1.0006e-06 1.H81 HD2 = 5.210(S), Expected = 7.00, Std = 0.4300, ChiSquare = 3.1438e-05 1.P105 HB2 = 0.834(S), Expected = 2.08, Std = 0.3500, ChiSquare = 3.7085e-04 1.A114 HB1 = 0.295(S), Expected = 1.35, Std = 0.2600, ChiSquare = 4.9560e-05 1.A114 HB2 = 0.295(S), Expected = 1.35, Std = 0.2600, ChiSquare = 4.9560e-05 1.A114 HB3 = 0.295(S), Expected = 1.35, Std = 0.2600, ChiSquare = 4.9560e-05 1.M116 HG3 = 0.418(S), Expected = 2.39, Std = 0.3800, ChiSquare = 2.1089e-07 1.Y122 HD1 = 5.632(S), Expected = 6.93, Std = 0.3000, ChiSquare = 1.5138e-05 1.Y122 HD2 = 5.632(S), Expected = 6.93, Std = 0.3000, ChiSquare = 1.5138e-05 1.G132 HA2 = 2.577(S), Expected = 3.97, Std = 0.3700, ChiSquare = 1.6664e-04 1.K157 HB2 = 0.124(S), Expected = 1.78, Std = 0.2500, ChiSquare = 3.4961e-11