Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> M 0.27 K 0.22 Q 0.15 R 0.13 H 0.12 E 0.05 V 0.01 C Shift Assignments>> C :: 174.705 CA :: 55.412 CB :: 32.697 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>> HB2 :: 1.868 HB3 :: 1.868 HG2 :: 2.360 HG3 :: 2.333 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) 1.I2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.36 F 0.3 I 0.2 E 0.04 D 0.02 L 0.01 N 0.01 M 0.01 C Shift Assignments>> C :: 174.343 CA :: 58.542 CB :: 38.476 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.164 HA :: 4.302 HB :: 1.698 HG12 :: 0.975 HG13 :: 0.979 HG21 :: 0.753 HG22 :: 0.753 HG23 :: 0.753 HD11 :: 0.746 HD12 :: 0.746 HD13 :: 0.746 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 123.877 Ave N Shift Values>> N :: 121.46(4.28) 1.P3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.93 R 0.03 K 0.01 I 0.01 C Shift Assignments>> C :: 176.879 CA :: 63.269 CB :: 31.989 CG :: 27.692 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 :: 4.234 HB2 :: 1.755 HB3 :: 2.157 HG2 :: 1.837 HG3 :: 1.837 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.E4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.67 I 0.12 K 0.08 M 0.07 Q 0.03 C Shift Assignments>> C :: 176.824 CA :: 57.496 CB :: 29.926 CG :: 36.811 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 :: 8.507 HA :: 4.066 HB2 :: 1.873 HB3 :: 1.872 HG2 :: 2.159 HG3 :: 2.155 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 :: 121.055 Ave N Shift Values>> N :: 120.67(3.48) 1.T5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.291 CA :: 62.036 CB :: 69.516 CG2 :: 22.087 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 :: 7.850 HA :: 4.179 HB :: 4.090 HG21 :: 1.065 HG22 :: 1.065 HG23 :: 1.065 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 112.987 Ave N Shift Values>> N :: 115.42(4.75) 1.L6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.85 R 0.11 G 0.02 C Shift Assignments>> C :: 176.407 CA :: 55.188 CB :: 42.334 CG :: 26.945 CD1 :: 25.674 CD2 :: 25.674 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 :: 8.012 HA :: 4.302 HB2 :: 1.492 HB3 :: 1.492 HG :: 1.859 HD11 :: 0.760 HD12 :: 0.760 HD13 :: 0.760 HD21 :: 0.759 HD22 :: 0.759 HD23 :: 0.759 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 :: 123.645 Ave N Shift Values>> N :: 121.86(3.9) 1.V7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 175.827 CA :: 62.611 CB :: 32.448 CG1 :: 21.264 CG2 :: 21.264 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.724 HA :: 3.900 HB :: 1.896 HG11 :: 0.808 HG12 :: 0.808 HG13 :: 0.808 HG21 :: 0.813 HG22 :: 0.813 HG23 :: 0.813 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 :: 120.955 Ave N Shift Values>> N :: 121.14(4.54) 1.M8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.65 Q 0.28 E 0.04 K 0.02 C Shift Assignments>> C :: 175.488 CA :: 54.978 CB :: 33.478 CG :: 31.919 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 :: 8.179 HA :: 4.274 HB2 :: 1.829 HB3 :: 1.656 HG2 :: 2.211 HG3 :: 2.206 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 :: 125.061 Ave N Shift Values>> N :: 120.09(3.57) 1.K9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.29 K 0.19 R 0.17 H 0.17 Q 0.07 E 0.07 C Shift Assignments>> C :: 175.537 CA :: 54.582 CB :: 32.098 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 :: 8.301 HA :: 4.486 HB2 :: 1.883 HB3 :: 1.665 HG2 :: 1.451 HG3 :: 1.451 HE2 :: 3.219 HE3 :: 3.219 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 123.900 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.P10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.91 K 0.04 I 0.02 R 0.01 C Shift Assignments>> C :: 176.802 CA :: 64.436 CB :: 31.834 CG :: 29.557 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 :: 4.233 HB2 :: 1.848 HB3 :: 2.226 HD2 :: 3.747 HD3 :: 3.618 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.D11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.34 N 0.3 L 0.14 F 0.1 Y 0.08 K 0.01 C Shift Assignments>> C :: 176.193 CA :: 53.700 CB :: 40.126 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 :: 8.308 HA :: 4.459 HB2 :: 2.621 HB3 :: 2.573 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 :: 116.517 Ave N Shift Values>> N :: 120.65(3.86) 1.F12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.9 Y 0.09 HN Overlap>> 1.K34 1.K34 C Shift Assignments>> C :: 177.187 CA :: 60.418 CB :: 39.967 CD1 :: 129.061 CD2 :: 129.061 CE1 :: 128.516 CE2 :: 128.516 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 :: 7.807 HA :: 4.172 HB2 :: 2.918 HB3 :: 3.207 HD1 :: 7.046 HD2 :: 7.046 HE1 :: 7.040 HE2 :: 7.040 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 :: 120.435 Ave N Shift Values>> N :: 120.45(4.18) 1.I13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.8 Y 0.07 F 0.05 V 0.04 C Shift Assignments>> C :: 176.852 CA :: 63.595 CB :: 37.315 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.292 HA :: 3.317 HB :: 1.827 HG12 :: 1.459 HG13 :: 1.459 HG21 :: 0.754 HG22 :: 0.754 HG23 :: 0.754 HD11 :: 0.507 HD12 :: 0.507 HD13 :: 0.507 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 :: 119.978 Ave N Shift Values>> N :: 121.46(4.28) 1.G14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.47 L 0.26 R 0.16 F 0.03 D 0.03 Y 0.01 C Shift Assignments>> C :: 170.574 CA :: 44.397 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.009 HA2 :: 3.992 HA3 :: 3.794 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.053 Ave N Shift Values>> N :: 109.67(3.87) 1.P15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.91 R 0.03 K 0.02 I 0.01 C Shift Assignments>> C :: 176.677 CA :: 63.157 CB :: 32.063 CG :: 27.916 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 :: 4.438 HB2 :: 1.979 HB3 :: 1.561 HG2 :: 1.684 HG3 :: 1.684 HD2 :: 3.453 HD3 :: 3.453 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.A16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.49 A 0.46 K 0.03 HN Overlap>> 1.L40 1.L40 C Shift Assignments>> C :: 173.335 CA :: 50.648 CB :: 22.871 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.305 HA :: 4.808 HB1 :: 1.231 HB2 :: 1.231 HB3 :: 1.231 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.840 Ave N Shift Values>> N :: 123.23(3.54) 1.Y17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 176.307 CA :: 56.573 CB :: 40.757 CD1 :: 131.365 CD2 :: 131.365 CE1 :: 115.882 CE2 :: 115.882 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 :: 8.716 HA :: 5.072 HB2 :: 2.681 HB3 :: 2.681 HD1 :: 7.029 HD2 :: 7.029 HE1 :: 6.697 HE2 :: 6.697 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 117.812 Ave N Shift Values>> N :: 120.52(4.2) 1.Y18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 175.720 CA :: 61.379 CB :: 39.891 CD1 :: 130.498 CD2 :: 130.498 CE1 :: 115.902 CE2 :: 115.902 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 :: 9.471 HA :: 3.704 HB2 :: 3.329 HB3 :: 2.528 HD1 :: 6.205 HD2 :: 6.205 HE1 :: 6.410 HE2 :: 6.410 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 125.627 Ave N Shift Values>> N :: 120.52(4.2) 1.E19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.69 M 0.15 I 0.11 K 0.02 Q 0.01 C Shift Assignments>> C :: 174.672 CA :: 58.504 CB :: 30.945 CG :: 36.979 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 :: 8.218 HA :: 4.648 HB2 :: 1.694 HB3 :: 1.565 HG2 :: 2.064 HG3 :: 2.065 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 :: 129.241 Ave N Shift Values>> N :: 120.67(3.48) 1.K20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.49 K 0.48 M 0.01 C Shift Assignments>> C :: 172.906 CA :: 55.173 CB :: 34.573 CG :: 22.273 CD :: 29.579 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 :: 7.343 HA :: 4.638 HB2 :: 1.994 HB3 :: 1.693 HG2 :: 1.552 HG3 :: 1.552 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 :: 112.181 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.41 R 0.26 G 0.21 K 0.09 C Shift Assignments>> C :: 178.645 CA :: 54.990 CB :: 43.769 CG :: 25.244 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 :: 8.372 HA :: 4.693 HB2 :: 1.603 HB3 :: 1.688 HG :: 1.901 HD11 :: 0.813 HD12 :: 0.813 HD13 :: 0.813 HD21 :: 0.686 HD22 :: 0.686 HD23 :: 0.686 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.706 Ave N Shift Values>> N :: 121.86(3.9) 1.G22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.43 L 0.29 D 0.06 G 0.05 F 0.05 K 0.04 Y 0.03 I 0.01 C Shift Assignments>> C :: 173.474 CA :: 43.282 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.889 HA2 :: 4.424 HA3 :: 3.051 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.351 Ave N Shift Values>> N :: 109.67(3.87) 1.N23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.29 N 0.25 D 0.13 L 0.07 M 0.05 H 0.04 R 0.03 Q 0.03 K 0.02 F 0.01 Y 0.01 E 0.01 C Shift Assignments>> C :: 174.703 CA :: 53.158 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 :: 8.844 HA :: 4.444 HB2 :: 2.582 HD21 :: 7.493 HD22 :: 6.896 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 120.956 ND2 :: 113.538 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.A24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.51 A 0.21 N 0.13 D 0.05 L 0.02 M 0.01 H 0.01 C Shift Assignments>> CA :: 50.850 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.861 HA :: 4.683 HB1 :: 1.379 HB2 :: 1.379 HB3 :: 1.379 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 129.709 Ave N Shift Values>> N :: 123.23(3.54) 1.P25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.47 P 0.37 K 0.03 R 0.03 I 0.02 E 0.02 H 0.02 M 0.01 C Shift Assignments>> C :: 175.678 CA :: 62.043 CB :: 31.905 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 :: 4.649 HB2 :: 2.136 HB3 :: 2.128 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.R26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.2 M 0.19 R 0.18 H 0.16 E 0.13 Q 0.07 V 0.04 C Shift Assignments>> C :: 174.277 CA :: 57.334 CB :: 31.860 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 :: 8.602 HA :: 4.244 HB2 :: 1.587 HB3 :: 1.587 HG2 :: 1.803 HG3 :: 1.803 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 120.435 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.F27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.57 G 0.37 Y 0.05 C Shift Assignments>> C :: 174.980 CA :: 56.046 CB :: 42.875 CD1 :: 129.762 CD2 :: 129.762 CE1 :: 129.096 CE2 :: 129.096 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 :: 7.396 HA :: 4.980 HB2 :: 2.663 HB3 :: 2.504 HD1 :: 6.886 HD2 :: 6.886 HE1 :: 7.185 HE2 :: 7.185 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 113.829 Ave N Shift Values>> N :: 120.45(4.18) 1.I28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.35 F 0.31 I 0.27 L 0.01 E 0.01 D 0.01 C Shift Assignments>> C :: 172.660 CA :: 59.254 CB :: 38.883 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 :: 7.696 HA :: 3.870 HB :: 1.008 HG21 :: 0.212 HG22 :: 0.212 HG23 :: 0.212 HD11 :: -0.223 HD12 :: -0.223 HD13 :: -0.223 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 :: 119.589 Ave N Shift Values>> N :: 121.46(4.28) 1.F29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.43 F 0.39 H 0.17 C Shift Assignments>> CD1 :: 129.646 CD2 :: 129.646 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 :: 8.981 HA :: 4.241 HB2 :: 3.225 HB3 :: 2.945 HD1 :: 6.903 HD2 :: 6.903 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 125.405 Ave N Shift Values>> N :: 120.45(4.18) 1.G30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.09 C Shift Assignments>> C :: 173.782 CA :: 45.413 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.623 HA2 :: 3.467 HA3 :: 3.998 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 103.885 Ave N Shift Values>> N :: 109.67(3.87) 1.K31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.3 Q 0.28 K 0.21 H 0.07 R 0.06 E 0.02 V 0.01 C Shift Assignments>> C :: 176.624 CA :: 54.981 CB :: 33.739 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 :: 7.953 HA :: 4.675 HB2 :: 1.807 HB3 :: 1.807 HG2 :: 1.393 HG3 :: 1.393 HD2 :: 1.630 HD3 :: 1.630 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 :: 120.918 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.68 K 0.1 M 0.1 Q 0.05 I 0.05 C Shift Assignments>> C :: 176.220 CA :: 56.061 CB :: 29.875 CG :: 36.617 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.183 HA :: 4.484 HB2 :: 1.798 HB3 :: 1.798 HG2 :: 1.950 HG3 :: 1.950 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 :: 131.202 Ave N Shift Values>> N :: 120.67(3.48) 1.G33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 L 0.14 R 0.03 F 0.01 C Shift Assignments>> CA :: 45.040 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.005 HA2 :: 3.911 HA3 :: 3.335 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.562 Ave N Shift Values>> N :: 109.67(3.87) 1.K34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.26 R 0.19 H 0.18 K 0.16 E 0.09 Q 0.08 HN Overlap>> 1.F12 1.F12 C Shift Assignments>> C :: 174.822 CA :: 54.800 CB :: 31.752 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 :: 7.809 HA :: 4.177 HB2 :: 1.495 HB3 :: 1.495 HG2 :: 1.273 HG3 :: 1.137 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 :: 120.404 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Y35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.62 G 0.37 HN Overlap>> 1.L96 1.L96 C Shift Assignments>> C :: 174.606 CA :: 56.103 CB :: 42.023 CD1 :: 130.756 CD2 :: 130.756 CE1 :: 115.099 CE2 :: 115.099 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 :: 8.598 HA :: 5.300 HB2 :: 2.930 HB3 :: 2.496 HD1 :: 6.802 HD2 :: 6.802 HE1 :: 6.593 HE2 :: 6.593 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 125.086 Ave N Shift Values>> N :: 120.52(4.2) 1.Q36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.77 E 0.16 Q 0.05 C Shift Assignments>> C :: 173.176 CA :: 54.188 CB :: 33.889 CG :: 35.368 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 9.163 HA :: 4.426 HB2 :: 1.653 HG2 :: 1.878 HG3 :: 2.358 HE21 :: 7.587 HE22 :: 7.195 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 :: 117.764 NE2 :: 113.973 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.R37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.33 Q 0.28 K 0.19 H 0.06 R 0.05 E 0.03 C Shift Assignments>> C :: 172.243 CA :: 54.282 CB :: 33.977 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 :: 8.657 HA :: 4.596 HB2 :: 1.191 HB3 :: 1.194 HG2 :: 0.739 HG3 :: 0.739 HD2 :: 3.266 HD3 :: 3.366 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 121.597 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.H38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.29 K 0.21 Q 0.14 R 0.14 H 0.13 E 0.05 C Shift Assignments>> C :: 173.756 CA :: 54.741 CB :: 32.623 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 9.386 HA :: 4.562 HB2 :: 2.758 HB3 :: 2.551 HD2 :: 6.420 HE1 :: 6.818 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 :: 128.291 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.I39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 173.617 CA :: 61.664 CB :: 36.910 CG2 :: 17.213 CD1 :: 13.318 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.707 HA :: 4.026 HB :: 1.548 HG12 :: 0.887 HG13 :: 0.887 HG21 :: 0.587 HG22 :: 0.587 HG23 :: 0.587 HD11 :: 0.365 HD12 :: 0.365 HD13 :: 0.365 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 124.072 Ave N Shift Values>> N :: 121.46(4.28) 1.L40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.64 L 0.27 R 0.07 HN Overlap>> 1.A16 1.A16 C Shift Assignments>> C :: 174.985 CA :: 52.669 CB :: 44.800 CG :: 27.064 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 :: 8.319 HA :: 4.632 HB2 :: 1.212 HB3 :: 1.045 HG :: 0.795 HD11 :: 0.241 HD12 :: 0.241 HD13 :: 0.241 HD21 :: 0.246 HD22 :: 0.246 HD23 :: 0.246 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 :: 126.932 Ave N Shift Values>> N :: 121.86(3.9) 1.N41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 L 0.3 R 0.11 K 0.1 N 0.06 F 0.04 Y 0.02 G 0.01 C Shift Assignments>> C :: 174.661 CA :: 52.830 CB :: 42.379 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 9.018 HA :: 5.268 HB2 :: 2.506 HB3 :: 2.504 HD21 :: 7.687 HD22 :: 7.033 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 :: 115.532 ND2 :: 114.578 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.S42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.97 T 0.02 C Shift Assignments>> C :: 175.331 CA :: 56.007 CB :: 65.894 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.443 HA :: 5.069 HB2 :: 3.985 HB3 :: 4.240 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 116.811 Ave N Shift Values>> N :: 116.28(3.52) 1.E43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.56 I 0.32 K 0.06 M 0.02 Q 0.01 C Shift Assignments>> C :: 177.382 CA :: 59.226 CB :: 29.651 CG :: 36.892 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.206 HA :: 4.009 HB2 :: 1.982 HB3 :: 1.982 HG2 :: 2.203 HG3 :: 2.203 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 :: 127.359 Ave N Shift Values>> N :: 120.67(3.48) 1.K44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.79 Q 0.08 R 0.07 V 0.04 C Shift Assignments>> C :: 177.496 CA :: 57.946 CB :: 33.394 CG :: 24.810 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 :: 8.042 HA :: 3.946 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 :: 116.924 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.H45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.26 K 0.23 Q 0.16 R 0.13 H 0.12 E 0.05 V 0.01 C Shift Assignments>> C :: 176.267 CA :: 55.917 CB :: 32.747 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 :: 7.199 HA :: 4.594 HB2 :: 2.861 HB3 :: 2.351 HD2 :: 6.512 HE1 :: 6.707 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 :: 113.229 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.G46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 L 0.13 R 0.03 F 0.01 C Shift Assignments>> C :: 173.890 CA :: 45.054 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.123 HA2 :: 4.162 HA3 :: 3.868 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.224 Ave N Shift Values>> N :: 109.67(3.87) 1.A47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.89 M 0.09 C Shift Assignments>> C :: 178.207 CA :: 52.024 CB :: 18.940 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.213 HA :: 5.204 HB1 :: 1.284 HB2 :: 1.284 HB3 :: 1.284 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.945 Ave N Shift Values>> N :: 123.23(3.54) 1.F48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.99 C Shift Assignments>> C :: 171.846 CA :: 56.029 CB :: 41.031 CD1 :: 129.760 CD2 :: 129.760 CE1 :: 130.417 CE2 :: 130.417 CZ :: 127.932 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 9.142 HA :: 4.914 HB2 :: 2.946 HB3 :: 3.214 HD1 :: 7.063 HD2 :: 7.063 HE1 :: 7.068 HE2 :: 7.068 HZ :: 6.709 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 :: 120.846 Ave N Shift Values>> N :: 120.45(4.18) 1.H49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.35 Q 0.25 K 0.16 E 0.06 H 0.04 N 0.03 R 0.03 Y 0.01 C Shift Assignments>> C :: 174.796 CA :: 53.586 CB :: 34.503 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 :: 8.288 HA :: 5.539 HB2 :: 3.368 HB3 :: 2.580 HD2 :: 6.516 HE1 :: 7.073 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 119.401 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.V50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 174.661 CA :: 59.849 CB :: 34.657 CG1 :: 23.059 CG2 :: 23.059 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.053 HA :: 4.822 HB :: 1.620 HG11 :: 0.622 HG12 :: 0.622 HG13 :: 0.622 HG21 :: 0.591 HG22 :: 0.591 HG23 :: 0.591 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 :: 120.648 Ave N Shift Values>> N :: 121.14(4.54) 1.I51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.84 A 0.07 M 0.06 C Shift Assignments>> C :: 174.696 CA :: 58.294 CB :: 38.511 CG2 :: 19.169 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 9.610 HA :: 5.419 HB :: 1.819 HG12 :: 1.186 HG13 :: 1.301 HG21 :: 0.748 HG22 :: 0.748 HG23 :: 0.748 HD11 :: 0.567 HD12 :: 0.567 HD13 :: 0.567 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 :: 130.344 Ave N Shift Values>> N :: 121.46(4.28) 1.T52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 173.992 CA :: 57.832 CB :: 70.567 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 :: 8.774 HA :: 5.463 HB :: 4.272 HG21 :: 0.772 HG22 :: 0.772 HG23 :: 0.772 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 :: 113.981 Ave N Shift Values>> N :: 115.42(4.75) 1.P53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.93 K 0.02 R 0.01 I 0.01 C Shift Assignments>> C :: 178.204 CA :: 63.878 CB :: 31.944 CG :: 28.731 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 :: 4.730 HB2 :: 2.551 HB3 :: 2.551 HG2 :: 2.140 HG3 :: 2.147 HD2 :: 3.707 HD3 :: 3.698 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.A54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.78 M 0.2 C Shift Assignments>> C :: 176.567 CA :: 53.087 CB :: 18.573 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.367 HA :: 4.017 HB1 :: 1.029 HB2 :: 1.029 HB3 :: 1.029 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 128.811 Ave N Shift Values>> N :: 123.23(3.54) 1.S55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.97 T 0.02 C Shift Assignments>> C :: 174.349 CA :: 56.251 CB :: 65.836 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.833 HA :: 4.821 HB2 :: 4.096 HB3 :: 3.902 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 :: 115.817 Ave N Shift Values>> N :: 116.28(3.52) 1.T56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> T 0.99 C Shift Assignments>> C :: 175.101 CA :: 62.253 CB :: 68.783 CG2 :: 22.025 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> HA :: 4.357 HB :: 4.177 HG21 :: 1.128 HG22 :: 1.128 HG23 :: 1.128 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) 1.T57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 HN Overlap>> 1.V83 1.V83 C Shift Assignments>> C :: 172.816 CA :: 63.875 CB :: 69.086 CG2 :: 22.324 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 :: 8.019 HA :: 3.698 HB :: 3.500 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 120.541 Ave N Shift Values>> N :: 115.42(4.75) 1.V58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 174.828 CA :: 60.963 CB :: 33.045 CG1 :: 20.904 CG2 :: 20.904 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 :: 8.081 HA :: 3.849 HB :: 1.690 HG11 :: 0.724 HG12 :: 0.724 HG13 :: 0.724 HG21 :: 0.673 HG22 :: 0.673 HG23 :: 0.673 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 127.226 Ave N Shift Values>> N :: 121.14(4.54) 1.F59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.88 Y 0.11 C Shift Assignments>> C :: 171.984 CA :: 54.996 CB :: 37.634 CD1 :: 129.316 CD2 :: 129.316 CE1 :: 128.821 CE2 :: 128.821 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 :: 7.890 HA :: 4.278 HD1 :: 6.538 HD2 :: 6.538 HE1 :: 6.841 HE2 :: 6.841 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 127.217 Ave N Shift Values>> N :: 120.45(4.18) 1.P60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.84 R 0.1 K 0.02 Q 0.01 M 0.01 C Shift Assignments>> C :: 175.664 CB :: 31.860 CG :: 27.322 CD :: 51.210 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 :: 4.303 HB2 :: 1.781 HB3 :: 2.193 HD2 :: 3.272 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.E61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.6 I 0.24 K 0.08 M 0.03 Q 0.03 C Shift Assignments>> C :: 177.435 CA :: 58.689 CB :: 29.531 CG :: 36.726 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 :: 8.315 HA :: 3.854 HB2 :: 1.930 HB3 :: 2.042 HG2 :: 2.474 HG3 :: 2.351 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 :: 121.023 Ave N Shift Values>> N :: 120.67(3.48) 1.D62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.31 F 0.3 D 0.13 L 0.09 I 0.07 N 0.06 C Shift Assignments>> C :: 174.608 CA :: 56.903 CB :: 39.429 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 9.406 HA :: 4.319 HB2 :: 3.009 HB3 :: 2.926 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 :: 119.395 Ave N Shift Values>> N :: 120.65(3.86) 1.A63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.91 M 0.06 L 0.01 C Shift Assignments>> C :: 176.902 CA :: 52.543 CB :: 19.850 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.733 HA :: 4.282 HB1 :: 1.275 HB2 :: 1.275 HB3 :: 1.275 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.201 Ave N Shift Values>> N :: 123.23(3.54) 1.L64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.39 K 0.36 R 0.21 G 0.02 C Shift Assignments>> C :: 176.929 CA :: 54.856 CB :: 42.637 CG :: 25.405 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 :: 8.315 HA :: 4.474 HB2 :: 1.633 HB3 :: 1.384 HG :: 1.200 HD11 :: 0.570 HD12 :: 0.570 HD13 :: 0.570 HD21 :: 0.469 HD22 :: 0.469 HD23 :: 0.469 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 :: 123.785 Ave N Shift Values>> N :: 121.86(3.9) 1.V65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.84 A 0.13 I 0.01 HN Overlap>> 1.E66 1.E66 C Shift Assignments>> C :: 174.229 CA :: 58.486 CB :: 35.815 CG1 :: 22.164 CG2 :: 19.387 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 :: 8.835 HA :: 5.131 HB :: 1.216 HG11 :: 0.375 HG12 :: 0.375 HG13 :: 0.375 HG21 :: 0.378 HG22 :: 0.378 HG23 :: 0.378 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 118.901 Ave N Shift Values>> N :: 121.14(4.54) 1.E66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.63 E 0.35 HN Overlap>> 1.V65 1.V65 C Shift Assignments>> C :: 174.666 CA :: 54.104 CB :: 33.045 CG :: 36.953 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 :: 8.845 HA :: 4.510 HB2 :: 1.618 HB3 :: 1.743 HG2 :: 1.853 HG3 :: 1.955 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 :: 118.933 Ave N Shift Values>> N :: 120.67(3.48) 1.V67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 175.046 CA :: 61.532 CB :: 32.009 CG1 :: 20.975 CG2 :: 20.975 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 :: 8.782 HA :: 3.867 HB :: 1.878 HG11 :: 0.738 HG12 :: 0.738 HG13 :: 0.738 HG21 :: 0.597 HG22 :: 0.597 HG23 :: 0.597 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 122.213 Ave N Shift Values>> N :: 121.14(4.54) 1.V68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 174.445 CA :: 63.234 CB :: 31.952 CG1 :: 21.102 CG2 :: 22.111 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.856 HA :: 3.842 HB :: 1.772 HG11 :: 0.769 HG12 :: 0.769 HG13 :: 0.769 HG21 :: 0.657 HG22 :: 0.657 HG23 :: 0.657 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 127.367 Ave N Shift Values>> N :: 121.14(4.54) 1.N69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.53 Y 0.11 E 0.1 F 0.08 D 0.06 M 0.06 L 0.01 C Shift Assignments>> C :: 170.698 CA :: 53.849 CB :: 37.387 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 9.040 HA :: 4.433 HB2 :: 2.755 HB3 :: 2.948 HD21 :: 6.721 HD22 :: 7.706 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 121.770 ND2 :: 113.306 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.P70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.62 P 0.26 K 0.03 I 0.01 Q 0.01 R 0.01 M 0.01 H 0.01 C Shift Assignments>> C :: 176.846 CA :: 62.303 CB :: 33.214 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 5.010 HB2 :: 2.083 HB3 :: 2.083 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.I71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.2 T 0.15 V 0.14 S 0.11 F 0.1 Y 0.1 E 0.03 K 0.03 R 0.03 H 0.02 Q 0.01 P 0.01 M 0.01 C Shift Assignments>> C :: 175.536 CA :: 60.513 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 9.294 HA :: 4.384 HB :: 1.925 HG12 :: 1.215 HG21 :: 0.959 HG22 :: 0.959 HG23 :: 0.959 HD11 :: 0.778 HD12 :: 0.778 HD13 :: 0.778 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 :: 119.442 Ave N Shift Values>> N :: 121.46(4.28) 1.F72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.46 F 0.42 H 0.1 C Shift Assignments>> CA :: 59.700 CD1 :: 129.642 CD2 :: 129.642 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 :: 8.845 HA :: 4.381 HB2 :: 2.989 HB3 :: 2.989 HD1 :: 7.107 HD2 :: 7.107 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 125.229 Ave N Shift Values>> N :: 120.45(4.18) 1.L73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.56 D 0.2 F 0.07 Y 0.07 L 0.05 C Shift Assignments>> CA :: 53.100 CB :: 38.938 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 :: 8.018 HB2 :: 1.472 HB3 :: 1.472 HG :: 1.232 HD11 :: 0.559 HD12 :: 0.559 HD13 :: 0.559 HD21 :: 0.729 HD22 :: 0.729 HD23 :: 0.729 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 :: 124.254 Ave N Shift Values>> N :: 121.86(3.9) 1.S74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> CA :: 56.291 CB :: 63.946 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> HA :: 4.345 HB2 :: 3.760 HB3 :: 3.758 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) 1.D75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 L 0.23 K 0.12 F 0.11 N 0.09 Y 0.08 R 0.01 C Shift Assignments>> C :: 177.064 CA :: 54.695 CB :: 41.133 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 :: 8.247 HA :: 4.522 HB2 :: 2.545 HB3 :: 2.563 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 :: 121.865 Ave N Shift Values>> N :: 120.65(3.86) 1.T76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.151 CA :: 62.518 CB :: 69.483 CG2 :: 21.796 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 :: 8.096 HA :: 4.121 HG21 :: 1.087 HG22 :: 1.087 HG23 :: 1.087 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 :: 114.516 Ave N Shift Values>> N :: 115.42(4.75) 1.A77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.83 M 0.15 C Shift Assignments>> C :: 177.913 CA :: 53.114 CB :: 19.066 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.124 HA :: 4.111 HB1 :: 1.220 HB2 :: 1.220 HB3 :: 1.220 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.273 Ave N Shift Values>> N :: 123.23(3.54) 1.L78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.29 D 0.2 K 0.18 R 0.15 F 0.08 Y 0.05 N 0.02 C Shift Assignments>> C :: 176.971 CA :: 55.024 CB :: 42.351 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 :: 7.757 HA :: 4.204 HB2 :: 1.459 HG :: 1.471 HD11 :: 0.674 HD12 :: 0.674 HD13 :: 0.674 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 :: 119.149 Ave N Shift Values>> N :: 121.86(3.9) 1.N79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.51 D 0.22 F 0.09 Y 0.08 L 0.06 HN Overlap>> 1.N81 1.N81 C Shift Assignments>> C :: 175.663 CA :: 53.398 CB :: 39.010 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 :: 8.089 HA :: 4.681 HB2 :: 2.695 HB3 :: 2.698 HD21 :: 6.879 HD22 :: 7.480 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 :: 118.221 ND2 :: 112.705 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.G80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.9 L 0.07 C Shift Assignments>> C :: 174.033 CA :: 45.752 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.280 HA2 :: 3.820 HA3 :: 3.814 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.214 Ave N Shift Values>> N :: 109.67(3.87) 1.N81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.53 D 0.21 F 0.08 Y 0.08 L 0.06 HN Overlap>> 1.N79 1.N79 C Shift Assignments>> C :: 175.141 CA :: 53.269 CB :: 38.983 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 :: 8.080 HA :: 4.138 HB2 :: 2.696 HB3 :: 2.696 HD21 :: 7.526 HD22 :: 6.849 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 :: 118.273 ND2 :: 112.729 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.S82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.177 CA :: 58.527 CB :: 63.857 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.088 HA :: 4.361 HB2 :: 3.779 HB3 :: 3.781 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 :: 115.489 Ave N Shift Values>> N :: 116.28(3.52) 1.V83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.T57 1.T57 C Shift Assignments>> C :: 175.411 CA :: 62.173 CB :: 32.293 CG1 :: 20.863 CG2 :: 20.863 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 :: 8.006 HA :: 4.030 HB :: 1.987 HG11 :: 0.820 HG12 :: 0.820 HG13 :: 0.820 HG21 :: 0.837 HG22 :: 0.837 HG23 :: 0.837 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 :: 120.626 Ave N Shift Values>> N :: 121.14(4.54) 1.A84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.94 M 0.05 C Shift Assignments>> C :: 174.920 CA :: 50.174 CB :: 18.535 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.177 HA :: 4.469 HB1 :: 1.222 HB2 :: 1.222 HB3 :: 1.222 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 128.286 Ave N Shift Values>> N :: 123.23(3.54) 1.P85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.89 R 0.05 K 0.01 I 0.01 Q 0.01 C Shift Assignments>> C :: 175.886 CA :: 62.694 CB :: 32.346 CG :: 27.062 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 :: 4.340 HB2 :: 1.840 HB3 :: 2.012 HG2 :: 1.721 HG3 :: 1.658 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.A86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.91 M 0.06 L 0.01 C Shift Assignments>> C :: 176.990 CA :: 52.540 CB :: 19.747 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.164 HA :: 4.226 HB1 :: 1.206 HB2 :: 1.206 HB3 :: 1.206 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.597 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 0.29 D 0.18 K 0.17 R 0.17 F 0.08 Y 0.05 N 0.01 C Shift Assignments>> C :: 174.271 CA :: 55.170 CB :: 42.431 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 :: 8.176 HA :: 4.376 HB2 :: 1.668 HB3 :: 1.668 HG :: 1.317 HD11 :: 0.697 HD12 :: 0.697 HD13 :: 0.697 HD21 :: 0.107 HD22 :: 0.107 HD23 :: 0.107 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.786 Ave N Shift Values>> N :: 121.86(3.9) 1.N88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.34 L 0.29 K 0.09 R 0.09 N 0.08 F 0.04 Y 0.02 G 0.02 C Shift Assignments>> C :: 173.787 CA :: 52.315 CB :: 42.293 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 :: 8.367 HA :: 5.569 HB2 :: 2.265 HB3 :: 2.622 HD21 :: 7.139 HD22 :: 6.306 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 124.393 ND2 :: 111.481 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.V89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.46 T 0.46 L 0.05 C Shift Assignments>> C :: 173.853 CA :: 59.471 CG1 :: 21.635 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 :: 8.600 HA :: 4.871 HB :: 2.093 HG11 :: 0.745 HG12 :: 0.745 HG13 :: 0.745 HG21 :: 0.758 HG22 :: 0.758 HG23 :: 0.758 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 118.883 Ave N Shift Values>> N :: 121.14(4.54) 1.F90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.87 Y 0.07 G 0.04 C Shift Assignments>> C :: 173.290 CA :: 55.364 CB :: 42.009 CD1 :: 129.931 CD2 :: 129.931 CE1 :: 129.766 CE2 :: 129.766 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 9.262 HA :: 5.594 HB2 :: 2.775 HB3 :: 2.837 HD1 :: 6.855 HD2 :: 6.855 HE1 :: 7.088 HE2 :: 7.088 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 125.722 Ave N Shift Values>> N :: 120.45(4.18) 1.A91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.48 L 0.45 K 0.02 G 0.01 P 0.01 C Shift Assignments>> C :: 173.778 CA :: 49.931 CB :: 23.002 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.466 HA :: 4.610 HB1 :: 0.850 HB2 :: 0.850 HB3 :: 0.850 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 129.035 Ave N Shift Values>> N :: 123.23(3.54) 1.E92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.19 E 0.18 H 0.16 K 0.12 M 0.1 Q 0.09 V 0.09 I 0.02 C Shift Assignments>> C :: 177.235 CA :: 58.965 CB :: 31.091 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 :: 7.505 HA :: 3.693 HB2 :: 1.787 HB3 :: 1.922 HG2 :: 2.097 HG3 :: 2.347 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 :: 117.221 Ave N Shift Values>> N :: 120.67(3.48) 1.K93 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Suspicious PRTL>> K 0.94 A 0.05 C Shift Assignments>> C :: 172.980 CA :: 55.149 CB :: 33.964 CG :: 23.390 CD :: 29.433 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 :: 7.213 HA :: 4.351 HB2 :: 1.701 HB3 :: 2.127 HG2 :: 1.502 HG3 :: 1.502 HE2 :: 2.749 HE3 :: 2.749 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 :: 107.090(S) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.59 G 0.39 C Shift Assignments>> C :: 175.562 CA :: 52.781 CB :: 43.967 CG :: 25.271 CD1 :: 24.870 CD2 :: 24.986 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 :: 7.777 HA :: 4.934 HB2 :: 0.935 HB3 :: 0.935 HG :: 0.458 HD11 :: -0.154 HD12 :: -0.154 HD13 :: -0.154 HD21 :: 0.230 HD22 :: 0.230 HD23 :: 0.230 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 :: 118.295 Ave N Shift Values>> N :: 121.86(3.9) 1.V95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 175.093 CA :: 59.763 CB :: 35.601 CG1 :: 20.586 CG2 :: 21.790 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 :: 8.333 HA :: 4.429 HB :: 1.863 HG11 :: 0.777 HG12 :: 0.777 HG13 :: 0.777 HG21 :: 0.658 HG22 :: 0.658 HG23 :: 0.658 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 115.470 Ave N Shift Values>> N :: 121.14(4.54) 1.L96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.42 R 0.33 K 0.2 I 0.02 HN Overlap>> 1.Y35 1.Y35 C Shift Assignments>> C :: 176.684 CA :: 55.796 CB :: 42.283 CG :: 27.389 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 :: 8.596 HA :: 4.330 HB2 :: 1.553 HB3 :: 1.560 HD11 :: 0.855 HD12 :: 0.855 HD13 :: 0.855 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 :: 125.098 Ave N Shift Values>> N :: 121.86(3.9) 1.K97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.99 C Shift Assignments>> C :: 174.985 CA :: 55.894 CB :: 32.805 CG :: 24.764 CD :: 30.335 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 :: 8.283 HA :: 4.229 HB2 :: 1.643 HB3 :: 1.260 HG2 :: 1.457 HG3 :: 1.457 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 126.538 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.81 Q 0.07 R 0.04 V 0.04 I 0.01 C Shift Assignments>> C :: 180.934 CA :: 57.671 CB :: 33.926 CG :: 24.622 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 :: 7.979 HA :: 4.106 HB2 :: 1.606 HB3 :: 1.733 HG2 :: 1.273 HG3 :: 1.273 HD2 :: 1.878 HD3 :: 1.869 HE2 :: 2.840 HE3 :: 2.918 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 :: 130.708 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) ########################################################################### Overall Results: #Consistent: 97 #Clerical: 0 #Suspicious: 1 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 98 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 98 #Suspicious: 0 C Shift Results: #Consistent: 368 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 643 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 N Shift Results: #Consistent: 93 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 Error Summary: 1.K93 N = 107.090(S), Expected = 121.05, Std = 3.7700, ChiSquare = 2.1313e-04