Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable C Shift Assignments>> C :: 177.827 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) 1.G2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.51 L 0.18 R 0.13 C 0.1 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> CA :: 44.624 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.486 HA2 :: 3.904 HA3 :: 3.904 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.011 Ave N Shift Values>> N :: 109.91(4.29) 1.H3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H4 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H5 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H6 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H7 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H8 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S9 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> H 0.38 W 0.33 C 0.28 C Shift Assignments>> C :: 175.032 CA :: 55.913 CB :: 29.760 CD2 :: 119.655 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> HA :: 4.630 HB2 :: 3.152 HB3 :: 3.085 HD2 :: 7.056 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) 1.M11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.35 C 0.32 Q 0.18 E 0.06 K 0.05 HN Overlap>> 1.D100 1.D100 C Shift Assignments>> C :: 175.894 CA :: 55.899 CB :: 33.249 CG :: 31.856 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 8.210 HA :: 4.366 HB2 :: 1.984 HB3 :: 1.915 HG2 :: 2.377 HG3 :: 2.427 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 121.291 Ave N Shift Values>> N :: 120.1(3.88) 1.N12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.46 C 0.16 D 0.16 Y 0.07 F 0.06 L 0.03 E 0.01 HN Overlap>> 1.T23 1.T23 C Shift Assignments>> C :: 175.812 CA :: 53.086 CB :: 38.583 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.670 HA :: 4.752 HB2 :: 2.983 HB3 :: 2.884 HD21 :: 7.616 HD22 :: 6.956 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 120.342 ND2 :: 112.635 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.S13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.641 CA :: 60.926 CB :: 63.108 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.499 HA :: 4.214 HB2 :: 3.871 HB3 :: 3.763 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 116.077 Ave N Shift Values>> N :: 116.3(3.95) 1.A14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.62 A 0.28 I 0.05 C 0.02 C Shift Assignments>> C :: 178.331 CA :: 55.481 CB :: 17.695 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.843 HA :: 4.021 HB1 :: 1.465 HB2 :: 1.465 HB3 :: 1.465 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 126.919 Ave N Shift Values>> N :: 123.23(3.7) 1.E15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.3 I 0.27 K 0.04 M 0.01 Q 0.01 C Shift Assignments>> C :: 179.127 CA :: 60.086 CB :: 29.559 CG :: 36.479 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.770 HA :: 3.850 HB2 :: 2.087 HB3 :: 2.136 HG2 :: 2.367 HG3 :: 2.250 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 119.553 Ave N Shift Values>> N :: 120.68(3.68) 1.Q16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 K 0.23 Q 0.23 E 0.11 R 0.06 I 0.03 M 0.02 C Shift Assignments>> C :: 178.819 CA :: 58.888 CB :: 28.511 CG :: 33.891 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.448 HA :: 4.032 HB2 :: 2.079 HB3 :: 2.080 HG2 :: 2.304 HG3 :: 2.396 HE21 :: 7.372 HE22 :: 6.714 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 118.134 NE2 :: 111.633 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.T17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.97 C 0.02 HN Overlap>> 1.T116 1.T116 C Shift Assignments>> C :: 175.520 CA :: 67.207 CB :: 67.647 CG2 :: 22.279 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.994 HA :: 4.233 HB :: 4.328 HG1 :: 5.033 HG21 :: 1.331 HG22 :: 1.331 HG23 :: 1.331 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 118.309 Ave N Shift Values>> N :: 115.7(5.05) 1.V18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.94 C 0.05 HN Overlap>> 1.L117 1.L117 C Shift Assignments>> C :: 176.706 CA :: 68.103 CB :: 31.565 CG1 :: 21.915 CG2 :: 24.601 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.585 HA :: 3.478 HB :: 2.357 HG11 :: 0.985 HG12 :: 0.985 HG13 :: 0.985 HG21 :: 1.206 HG22 :: 1.206 HG23 :: 1.206 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 122.523 Ave N Shift Values>> N :: 121.02(4.96) 1.T19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.98 C 0.01 HN Overlap>> 1.S78 1.S78 C Shift Assignments>> C :: 176.446 CA :: 66.738 CB :: 68.615 CG2 :: 21.730 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.018 HA :: 3.843 HB :: 4.247 HG21 :: 1.258 HG22 :: 1.258 HG23 :: 1.258 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 113.870 Ave N Shift Values>> N :: 115.7(5.05) 1.W20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.61 C 0.37 H 0.01 C Shift Assignments>> C :: 176.657 CA :: 59.752 CB :: 28.230 CD1 :: 127.030 CE3 :: 120.412 CZ2 :: 114.077 CZ3 :: 120.538 CH2 :: 122.827 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 8.277 HA :: 4.596 HB2 :: 3.704 HB3 :: 3.224 HD1 :: 7.286 HE1 :: 10.211 HE3 :: 7.549 HZ2 :: 7.331 HZ3 :: 6.893 HH2 :: 6.792 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 125.576 NE1 :: 131.783 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.L21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.57 C 0.37 R 0.04 C Shift Assignments>> C :: 179.485 CA :: 57.724 CB :: 41.509 CG :: 26.231 CD1 :: 26.221 CD2 :: 23.897 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.205 HA :: 3.378 HB2 :: 1.925 HB3 :: 1.050 HG :: 2.083 HD11 :: 0.654 HD12 :: 0.654 HD13 :: 0.654 HD21 :: 0.233 HD22 :: 0.233 HD23 :: 0.233 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 116.614 Ave N Shift Values>> N :: 121.98(4.07) 1.I22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.89 C 0.1 HN Overlap>> 1.I80 1.I80 C Shift Assignments>> C :: 180.964 CA :: 64.473 CB :: 38.291 CG1 :: 28.583 CG2 :: 16.870 CD1 :: 14.605 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.301 HA :: 4.214 HB :: 1.908 HG12 :: 1.848 HG13 :: 0.838 HG21 :: 0.924 HG22 :: 0.924 HG23 :: 0.924 HD11 :: 0.801 HD12 :: 0.801 HD13 :: 0.801 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 119.461 Ave N Shift Values>> N :: 121.6(4.72) 1.T23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.98 C 0.01 HN Overlap>> 1.N12 1.N12 C Shift Assignments>> C :: 176.576 CA :: 66.695 CB :: 68.544 CG2 :: 21.205 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.745 HA :: 3.935 HB :: 4.515 HG21 :: 1.319 HG22 :: 1.319 HG23 :: 1.319 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 120.324 Ave N Shift Values>> N :: 115.7(5.05) 1.L24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.49 C 0.24 G 0.16 R 0.04 A 0.04 C Shift Assignments>> C :: 177.470 CA :: 55.542 CB :: 43.838 CG :: 26.501 CD1 :: 25.155 CD2 :: 22.403 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.086 HA :: 4.096 HB2 :: 1.506 HB3 :: 1.219 HG :: 1.450 HD11 :: 0.060 HD12 :: 0.060 HD13 :: 0.060 HD21 :: 0.663 HD22 :: 0.663 HD23 :: 0.663 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 119.658 Ave N Shift Values>> N :: 121.98(4.07) 1.G25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.66 L 0.13 C 0.09 R 0.07 F 0.01 C Shift Assignments>> C :: 174.805 CA :: 44.973 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.815 HA2 :: 3.935 HA3 :: 4.112 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 105.616 Ave N Shift Values>> N :: 109.91(4.29) 1.V26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.62 C 0.37 C Shift Assignments>> C :: 172.644 CA :: 60.965 CB :: 31.171 CG1 :: 21.382 CG2 :: 20.278 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.250 HA :: 4.219 HB :: 2.194 HG11 :: 0.612 HG12 :: 0.612 HG13 :: 0.612 HG21 :: 0.625 HG22 :: 0.625 HG23 :: 0.625 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 109.764 Ave N Shift Values>> N :: 121.02(4.96) 1.L27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.41 C 0.38 L 0.17 A 0.03 C Shift Assignments>> C :: 174.545 CA :: 52.609 CB :: 47.109 CG :: 26.552 CD1 :: 24.225 CD2 :: 25.975 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 6.756 HA :: 4.536 HB2 :: 1.397 HB3 :: 1.007 HG :: 1.652 HD11 :: 0.926 HD12 :: 0.926 HD13 :: 0.926 HD21 :: 0.923 HD22 :: 0.923 HD23 :: 0.923 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 120.672 Ave N Shift Values>> N :: 121.98(4.07) 1.E28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.35 C 0.33 M 0.11 K 0.09 Q 0.06 I 0.02 C Shift Assignments>> C :: 175.829 CA :: 55.727 CB :: 30.208 CG :: 36.057 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.497 HA :: 4.156 HB2 :: 1.903 HB3 :: 1.869 HG2 :: 2.229 HG3 :: 2.231 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 124.965 Ave N Shift Values>> N :: 120.68(3.68) 1.S29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 56.134 CB :: 63.218 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.610 HA :: 4.435 HB2 :: 3.812 HB3 :: 3.813 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 118.553 Ave N Shift Values>> N :: 116.3(3.95) 1.P30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.76 C 0.23 C Shift Assignments>> C :: 176.641 CA :: 62.525 CB :: 31.869 CG :: 26.763 CD :: 50.490 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.502 HB2 :: 2.135 HB3 :: 1.946 HG2 :: 1.613 HG3 :: 1.764 HD2 :: 3.765 HD3 :: 3.689 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.K31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.35 C 0.32 R 0.28 M 0.02 C Shift Assignments>> C :: 175.861 CA :: 56.621 CB :: 31.564 CG :: 24.746 CD :: 28.481 CE :: 42.007 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.495 HA :: 4.082 HB2 :: 1.725 HB3 :: 1.884 HG2 :: 1.371 HG3 :: 1.463 HD2 :: 1.621 HD3 :: 1.621 HE2 :: 2.970 HE3 :: 2.970 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 119.530 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.K32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.46 C 0.4 R 0.06 M 0.03 A 0.01 C Shift Assignments>> C :: 175.244 CA :: 54.383 CB :: 34.148 CG :: 23.652 CD :: 28.931 CE :: 41.772 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.412 HA :: 4.424 HB2 :: 1.787 HB3 :: 1.639 HG2 :: 1.216 HG3 :: 1.261 HD2 :: 1.610 HD3 :: 1.610 HE2 :: 2.922 HE3 :: 2.923 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 116.608 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.T33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.95 C 0.04 C Shift Assignments>> C :: 174.009 CA :: 63.000 CB :: 69.236 CG2 :: 21.505 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.099 HA :: 3.861 HB :: 3.862 HG21 :: 1.052 HG22 :: 1.052 HG23 :: 1.052 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 116.355 Ave N Shift Values>> N :: 115.7(5.05) 1.I34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.58 C 0.41 C Shift Assignments>> CA :: 60.000 CB :: 37.642 CG1 :: 26.428 CG2 :: 17.360 CD1 :: 12.085 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.586 HA :: 3.904 HB :: 1.647 HG12 :: 0.550 HG13 :: 1.063 HG21 :: 0.499 HG22 :: 0.499 HG23 :: 0.499 HD11 :: 0.178 HD12 :: 0.178 HD13 :: 0.178 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 127.469 Ave N Shift Values>> N :: 121.6(4.72) 1.S35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 173.944 CA :: 58.915 CB :: 63.161 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> HA :: 4.376 HB2 :: 3.857 HB3 :: 3.757 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) 1.D36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.35 D 0.31 C 0.16 L 0.08 F 0.03 Y 0.02 K 0.01 C Shift Assignments>> CA :: 50.313 CB :: 40.614 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 7.876 HA :: 5.102 HB2 :: 2.841 HB3 :: 2.547 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 119.175 Ave N Shift Values>> N :: 120.73(4.2) 1.P37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.89 C 0.1 C Shift Assignments>> C :: 177.470 CA :: 65.354 CB :: 31.193 CG :: 27.356 CD :: 50.158 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.141 HB2 :: 1.787 HB3 :: 2.214 HG2 :: 2.201 HG3 :: 2.050 HD2 :: 3.428 HD3 :: 4.043 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.E38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.53 C 0.29 E 0.14 K 0.01 C Shift Assignments>> C :: 177.746 CA :: 61.125 CB :: 29.140 CG :: 37.595 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.519 HA :: 3.757 HB2 :: 1.940 HB3 :: 2.060 HG2 :: 2.239 HG3 :: 2.240 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 118.376 Ave N Shift Values>> N :: 120.68(3.68) 1.G39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.74 C 0.18 L 0.03 A 0.01 C Shift Assignments>> C :: 177.112 CA :: 47.066 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.094 HA2 :: 3.604 HA3 :: 3.807 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.324 Ave N Shift Values>> N :: 109.91(4.29) 1.F40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.66 C 0.33 C Shift Assignments>> C :: 178.705 CA :: 60.389 CB :: 39.720 CD1 :: 131.204 CD2 :: 131.330 CE1 :: 131.064 CE2 :: 131.170 CZ :: 129.716 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.487 HA :: 4.338 HB2 :: 2.895 HB3 :: 3.350 HD1 :: 7.120 HD2 :: 7.120 HE1 :: 7.221 HE2 :: 7.221 HZ :: 7.294 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 123.072 Ave N Shift Values>> N :: 120.69(4.18) 1.L41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.61 C 0.34 R 0.02 C Shift Assignments>> C :: 177.356 CA :: 57.530 CB :: 41.639 CG :: 26.602 CD1 :: 24.553 CD2 :: 24.431 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.540 HA :: 3.643 HB2 :: 1.981 HB3 :: 1.656 HG :: 1.833 HD11 :: 0.932 HD12 :: 0.932 HD13 :: 0.932 HD21 :: 0.889 HD22 :: 0.889 HD23 :: 0.889 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 122.767 Ave N Shift Values>> N :: 121.98(4.07) 1.Q42 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.37 Q 0.16 K 0.15 R 0.12 P 0.08 I 0.05 E 0.04 C Shift Assignments>> C :: 177.762 CA :: 60.035 CB :: 27.104 CG :: 33.506 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.052 HA :: 3.213 HB2 :: 0.917(S) HB3 :: 1.636 HG2 :: 1.760 HG3 :: 1.685 HE21 :: 6.763 HE22 :: 6.621 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 119.044 NE2 :: 108.883 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.A43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.49 A 0.44 C 0.02 I 0.02 C Shift Assignments>> C :: 180.769 CA :: 54.548 CB :: 17.953 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.495 HA :: 3.921 HB1 :: 1.336 HB2 :: 1.336 HB3 :: 1.336 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 118.065 Ave N Shift Values>> N :: 123.23(3.7) 1.S44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.049 CA :: 60.936 CB :: 62.812 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.948 HA :: 4.067 HB2 :: 3.455 HB3 :: 3.496 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 112.447 Ave N Shift Values>> N :: 116.3(3.95) 1.L45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.39 A 0.26 C 0.2 G 0.09 R 0.03 C Shift Assignments>> C :: 177.746 CA :: 54.095 CB :: 43.183 CG :: 25.894 CD1 :: 25.757 CD2 :: 21.354 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.784 HA :: 4.594 HB2 :: 1.754 HB3 :: 1.450 HG :: 1.970 HD11 :: 0.645 HD12 :: 0.645 HD13 :: 0.645 HD21 :: 0.554 HD22 :: 0.554 HD23 :: 0.554 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 117.277 Ave N Shift Values>> N :: 121.98(4.07) 1.K46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.45 C 0.43 R 0.08 M 0.01 C Shift Assignments>> C :: 173.375 CA :: 60.945 CB :: 33.195 CG :: 24.725 CD :: 29.421 CE :: 41.634 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 6.897 HA :: 3.637 HB2 :: 1.996 HB3 :: 1.752 HG2 :: 1.331 HG3 :: 1.331 HD2 :: 1.458 HD3 :: 1.528 HE2 :: 2.655 HE3 :: 2.537 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 121.362 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.D47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 L 0.18 N 0.13 C 0.1 K 0.09 F 0.05 Y 0.04 R 0.03 C Shift Assignments>> C :: 177.519 CA :: 53.171 CB :: 41.306 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 7.924 HA :: 4.580 HB2 :: 3.541 HB3 :: 2.593 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 110.253 Ave N Shift Values>> N :: 120.73(4.2) 1.G48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.35 C 0.26 P 0.21 A 0.08 N 0.03 L 0.01 D 0.01 C Shift Assignments>> C :: 174.009 CA :: 48.062 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.767 HA2 :: 3.582 HA3 :: 4.246 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 103.674 Ave N Shift Values>> N :: 109.91(4.29) 1.V49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.96 C 0.03 C Shift Assignments>> C :: 178.169 CA :: 68.053 CB :: 31.420 CG1 :: 20.999 CG2 :: 23.678 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.251 HA :: 3.263 HB :: 2.186 HG11 :: 0.882 HG12 :: 0.882 HG13 :: 0.882 HG21 :: 0.920 HG22 :: 0.920 HG23 :: 0.920 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 122.677 Ave N Shift Values>> N :: 121.02(4.96) 1.V50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.95 C 0.04 C Shift Assignments>> C :: 177.600 CA :: 66.826 CB :: 30.829 CG1 :: 21.108 CG2 :: 23.105 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.845 HA :: 3.386 HB :: 1.884 HG11 :: 0.566 HG12 :: 0.566 HG13 :: 0.566 HG21 :: 1.133 HG22 :: 1.133 HG23 :: 1.133 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 119.408 Ave N Shift Values>> N :: 121.02(4.96) 1.L51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.74 L 0.22 A 0.03 C Shift Assignments>> C :: 178.331 CA :: 57.487 CB :: 39.128 CG :: 25.706 CD1 :: 26.194 CD2 :: 21.795 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.421 HA :: 3.560 HB2 :: 1.420 HB3 :: 0.447 HG :: 1.634 HD11 :: 0.622 HD12 :: 0.622 HD13 :: 0.622 HD21 :: 0.156 HD22 :: 0.156 HD23 :: 0.156 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 117.454 Ave N Shift Values>> N :: 121.98(4.07) 1.C52 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> I 0.47 P 0.45 C 0.04 V 0.01 C Shift Assignments>> C :: 177.194 CA :: 65.816 CB :: 27.397 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.571 HA :: 4.220 HB2 :: 2.446 HB3 :: 3.116 HG :: 2.852(A) Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 116.463 Ave N Shift Values>> N :: 119.95(4.79) 1.R53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.45 C 0.37 G 0.1 K 0.05 L 0.01 C Shift Assignments>> C :: 180.000 CA :: 59.205 CB :: 29.790 CG :: 27.581 CD :: 43.530 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.542 HA :: 3.888 HB2 :: 1.742 HB3 :: 2.021 HG2 :: 1.610 HG3 :: 1.828 HD2 :: 3.176 HD3 :: 3.095 HE :: 7.137 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 120.080 NE :: 84.234 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.L54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.46 C 0.38 R 0.12 G 0.01 C Shift Assignments>> C :: 177.096 CA :: 57.776 CB :: 42.102 CG :: 26.772 CD1 :: 22.858 CD2 :: 26.030 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.942 HA :: 3.746 HB2 :: 2.330 HB3 :: 1.154 HG :: 1.283 HD11 :: 0.214 HD12 :: 0.214 HD13 :: 0.214 HD21 :: 0.707 HD22 :: 0.707 HD23 :: 0.707 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 121.118 Ave N Shift Values>> N :: 121.98(4.07) 1.L55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.51 C 0.39 R 0.07 C Shift Assignments>> C :: 177.421 CA :: 57.732 CB :: 41.364 CG :: 26.993 CD1 :: 23.762 CD2 :: 26.085 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.119 HA :: 4.056 HB2 :: 1.999 HB3 :: 1.718 HG :: 1.883 HD11 :: 0.935 HD12 :: 0.935 HD13 :: 0.935 HD21 :: 0.848 HD22 :: 0.848 HD23 :: 0.848 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 118.269 Ave N Shift Values>> N :: 121.98(4.07) 1.E56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.27 E 0.25 Q 0.18 K 0.17 M 0.06 I 0.03 R 0.01 C Shift Assignments>> C :: 177.437 CA :: 57.270 CB :: 29.529 CG :: 35.000 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.621 HA :: 4.167 HB2 :: 2.040 HB3 :: 1.793 HG2 :: 2.245 HG3 :: 2.315 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 116.708 Ave N Shift Values>> N :: 120.68(3.68) 1.R57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 R 0.32 K 0.24 L 0.08 C Shift Assignments>> C :: 177.779 CA :: 56.722 CB :: 29.153 CG :: 27.206 CD :: 41.832 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.593 HA :: 4.112 HB2 :: 2.072 HB3 :: 1.813 HG2 :: 1.580 HG3 :: 1.467 HD2 :: 3.315 HD3 :: 3.124 HE :: 7.264 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 117.239 NE :: 84.118 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.L58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.44 C 0.3 G 0.12 R 0.07 A 0.04 C Shift Assignments>> C :: 176.820 CA :: 56.621 CB :: 43.515 CG :: 26.166 CD1 :: 25.811 CD2 :: 21.764 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.722 HA :: 4.252 HB2 :: 1.871 HB3 :: 1.487 HG :: 1.931 HD11 :: 1.002 HD12 :: 1.002 HD13 :: 1.002 HD21 :: 0.994 HD22 :: 0.994 HD23 :: 0.994 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 117.747 Ave N Shift Values>> N :: 121.98(4.07) 1.L59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.65 G 0.15 C 0.14 A 0.02 R 0.01 C Shift Assignments>> CA :: 51.671 CB :: 43.202 CG :: 26.194 CD1 :: 25.702 CD2 :: 23.897 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.667 HA :: 4.674 HB2 :: 1.624 HB3 :: 1.348 HG :: 1.402 HD11 :: 0.842 HD12 :: 0.842 HD13 :: 0.842 HD21 :: 0.882 HD22 :: 0.882 HD23 :: 0.882 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 119.714 Ave N Shift Values>> N :: 121.98(4.07) 1.P60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.82 C 0.17 C Shift Assignments>> C :: 178.412 CA :: 63.386 CB :: 31.504 CG :: 27.131 CD :: 49.631 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.468 HB2 :: 1.804 HB3 :: 2.319 HG2 :: 1.991 HG3 :: 2.046 HD2 :: 3.550 HD3 :: 3.338 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.G61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.63 L 0.14 C 0.09 R 0.08 F 0.01 D 0.01 C Shift Assignments>> C :: 175.146 CA :: 44.892 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 10.087 HA2 :: 3.793 HA3 :: 4.192 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 113.118 Ave N Shift Values>> N :: 109.91(4.29) 1.T62 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 :: 174.610 CA :: 64.806 CB :: 69.569 CG2 :: 22.105 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.327 HA :: 3.994 HB :: 3.915 HG21 :: 1.107 HG22 :: 1.107 HG23 :: 1.107 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 116.843 Ave N Shift Values>> N :: 115.7(5.05) 1.I63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.66 I 0.3 A 0.02 C Shift Assignments>> C :: 176.284 CA :: 58.426 CB :: 36.257 CG1 :: 25.839 CG2 :: 17.605 CD1 :: 10.867 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.436 HA :: 4.136 HB :: 2.064 HG12 :: 1.602 HG13 :: 1.821 HG21 :: 0.761 HG22 :: 0.761 HG23 :: 0.761 HD11 :: 0.941 HD12 :: 0.941 HD13 :: 0.941 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 121.790 Ave N Shift Values>> N :: 121.6(4.72) 1.E64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.34 C 0.34 M 0.15 Q 0.06 K 0.05 I 0.03 C Shift Assignments>> C :: 175.796 CA :: 56.881 CB :: 30.872 CG :: 35.982 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 9.239 HA :: 4.258 HB2 :: 1.936 HB3 :: 1.934 HG2 :: 2.072 HG3 :: 2.236 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 127.774 Ave N Shift Values>> N :: 120.68(3.68) 1.K65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.43 C 0.4 R 0.11 M 0.02 C Shift Assignments>> C :: 180.000 CA :: 55.538 CB :: 33.775 CG :: 23.762 CD :: 28.556 CE :: 41.749 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.215 HA :: 4.290 HB2 :: 1.544 HB3 :: 1.544 HG2 :: 0.981 HG3 :: 0.981 HD2 :: 1.443 HD3 :: 1.443 HE2 :: 2.561 HE3 :: 2.701 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 119.714 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.V66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.72 V 0.24 I 0.02 C Shift Assignments>> C :: 174.074 CA :: 59.631 CB :: 35.643 CG1 :: 19.303 CG2 :: 21.327 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.962 HA :: 4.213 HB :: 1.748 HG11 :: 0.696 HG12 :: 0.696 HG13 :: 0.696 HG21 :: 0.773 HG22 :: 0.773 HG23 :: 0.773 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 123.245 Ave N Shift Values>> N :: 121.02(4.96) 1.Y67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 Y 0.48 C Shift Assignments>> CA :: 55.333 CB :: 37.854 CD1 :: 133.935 CD2 :: 133.874 CE1 :: 117.590 CE2 :: 117.820 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 9.599 HA :: 4.823 HB2 :: 2.839 HB3 :: 2.839 HD1 :: 7.201 HD2 :: 7.201 HE1 :: 6.787 HE2 :: 6.787 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 127.286 Ave N Shift Values>> N :: 120.79(4.69) 1.P68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.83 C 0.16 C Shift Assignments>> C :: 175.845 CA :: 63.938 CB :: 32.127 CG :: 27.056 CD :: 51.161 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.185 HB2 :: 2.233 HB3 :: 1.981 HG2 :: 1.978 HG3 :: 1.869 HD2 :: 3.913 HD3 :: 3.915 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.E69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 E 0.26 M 0.12 K 0.09 Q 0.06 C Shift Assignments>> CA :: 53.027 CB :: 30.000 CG :: 36.010 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.262 HA :: 4.579 HB2 :: 1.834 HB3 :: 1.942 HG2 :: 2.148 HG3 :: 2.091 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 117.576 Ave N Shift Values>> N :: 120.68(3.68) 1.P70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.62 C 0.37 C Shift Assignments>> C :: 178.542 CA :: 62.987 CB :: 33.650 CG :: 28.631 CD :: 49.408 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.484 HB2 :: 2.243 HB3 :: 2.104 HG2 :: 2.348 HG3 :: 2.041 HD2 :: 3.611 HD3 :: 3.459 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.R71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.41 C 0.34 K 0.19 G 0.04 C Shift Assignments>> C :: 175.162 CA :: 55.005 CB :: 31.536 CG :: 26.456 CD :: 42.957 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 9.095 HA :: 4.484 HB2 :: 1.972 HB3 :: 1.729 HG2 :: 1.744 HG3 :: 1.757 HD2 :: 3.221 HD3 :: 3.186 HE :: 7.255 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 121.854 NE :: 85.036 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.S72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.83 T 0.16 C Shift Assignments>> C :: 174.269 CA :: 55.769 CB :: 66.710 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.419 HA :: 4.723 HB2 :: 3.775 HB3 :: 4.137 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 111.595 Ave N Shift Values>> N :: 116.3(3.95) 1.E73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.32 I 0.17 K 0.08 Q 0.04 M 0.03 C Shift Assignments>> C :: 177.519 CA :: 59.681 CB :: 29.688 CG :: 35.907 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 9.170 HA :: 3.742 HB2 :: 2.189 HB3 :: 1.910 HG2 :: 1.839 HG3 :: 1.840 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 123.839 Ave N Shift Values>> N :: 120.68(3.68) 1.S74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.454 CA :: 61.574 CB :: 62.014 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.345 HA :: 3.949 HB2 :: 3.781 HB3 :: 3.780 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 111.982 Ave N Shift Values>> N :: 116.3(3.95) 1.E75 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> E 0.35 C 0.34 I 0.13 M 0.06 K 0.06 Q 0.04 C Shift Assignments>> C :: 177.795 CA :: 59.353 CB :: 30.367 CG :: 35.982 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.396 HA :: 3.585 HB2 :: 1.776 HB3 :: 1.450 HG2 :: 1.814 HG3 :: 0.703(A) Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 122.828 Ave N Shift Values>> N :: 120.68(3.68) 1.C76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.42 P 0.32 C 0.09 W 0.05 R 0.02 V 0.02 K 0.01 E 0.01 H 0.01 Q 0.01 HN Overlap>> 1.S113 1.S113 C Shift Assignments>> C :: 177.242 CA :: 62.510 CB :: 27.899 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.563 HA :: 4.357 HB2 :: 2.819 HB3 :: 3.114 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 117.772 Ave N Shift Values>> N :: 119.95(4.79) 1.L77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.55 C 0.39 R 0.03 C Shift Assignments>> C :: 179.176 CA :: 57.636 CB :: 41.207 CG :: 26.667 CD1 :: 25.706 CD2 :: 22.678 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.508 HA :: 3.838 HB2 :: 1.191 HB3 :: 1.711 HG :: 1.234 HD11 :: 0.689 HD12 :: 0.689 HD13 :: 0.689 HD21 :: 0.572 HD22 :: 0.572 HD23 :: 0.572 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 117.705 Ave N Shift Values>> N :: 121.98(4.07) 1.S78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.T19 1.T19 C Shift Assignments>> C :: 177.112 CA :: 62.179 CB :: 62.602 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.071 HA :: 4.166 HB2 :: 4.299 HB3 :: 4.125 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 113.930 Ave N Shift Values>> N :: 116.3(3.95) 1.N79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.24 N 0.21 Y 0.16 F 0.11 E 0.1 D 0.07 M 0.02 I 0.02 L 0.01 C Shift Assignments>> C :: 176.901 CA :: 55.177 CB :: 37.819 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 7.836 HA :: 4.547 HB2 :: 2.843 HB3 :: 3.884 HD21 :: 7.406 HD22 :: 8.105 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 119.430 ND2 :: 108.666 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.I80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.94 C 0.05 HN Overlap>> 1.I22 1.I22 C Shift Assignments>> C :: 177.990 CA :: 66.480 CB :: 39.172 CG1 :: 29.647 CG2 :: 19.030 CD1 :: 14.080 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.373 HA :: 3.636 HB :: 1.921 HG12 :: 2.162 HG13 :: 0.869 HG21 :: 1.268 HG22 :: 1.268 HG23 :: 1.268 HD11 :: 1.269 HD12 :: 1.269 HD13 :: 1.269 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 119.469 Ave N Shift Values>> N :: 121.6(4.72) 1.R81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 R 0.3 G 0.13 K 0.07 C Shift Assignments>> C :: 178.656 CA :: 60.412 CB :: 29.617 CG :: 29.663 CD :: 43.311 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 9.063 HA :: 3.992 HB2 :: 1.907 HB3 :: 2.052 HG2 :: 1.580 HG3 :: 1.580 HD2 :: 3.201 HD3 :: 3.130 HE :: 7.183 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 117.402 NE :: 84.310 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.E82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 E 0.23 K 0.18 Q 0.16 I 0.07 R 0.02 M 0.01 C Shift Assignments>> C :: 178.640 CA :: 58.642 CB :: 28.649 CG :: 35.000 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.445 HA :: 4.545 HB2 :: 2.339 HB3 :: 2.339 HG2 :: 2.516 HG3 :: 2.947 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 124.127 Ave N Shift Values>> N :: 120.68(3.68) 1.F83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.42 C 0.19 Y 0.17 F 0.15 E 0.03 C Shift Assignments>> C :: 176.901 CA :: 61.326 CB :: 38.116 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 7.844 HA :: 4.146 HB2 :: 3.515 HB3 :: 3.209 HD1 :: 7.114 HD2 :: 7.114 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 121.118 Ave N Shift Values>> N :: 120.69(4.18) 1.L84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 L 0.36 A 0.05 R 0.03 C Shift Assignments>> C :: 180.167 CA :: 57.676 CB :: 41.306 CG :: 26.060 CD1 :: 25.866 CD2 :: 20.830 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.494 HA :: 3.499 HB2 :: 1.902 HB3 :: 1.312 HG :: 1.887 HD11 :: 0.748 HD12 :: 0.748 HD13 :: 0.748 HD21 :: 0.136 HD22 :: 0.136 HD23 :: 0.136 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 120.202 Ave N Shift Values>> N :: 121.98(4.07) 1.R85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.37 C 0.3 R 0.21 L 0.08 G 0.01 C Shift Assignments>> C :: 179.582 CA :: 58.863 CB :: 29.169 CG :: 25.371 CD :: 42.242 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.747 HA :: 3.932 HB2 :: 1.946 HB3 :: 1.946 HG2 :: 1.498 HG3 :: 1.645 HD2 :: 3.035 HD3 :: 3.333 HE :: 7.982 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 122.767 NE :: 81.892 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.G86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.74 C 0.18 L 0.03 A 0.01 C Shift Assignments>> C :: 176.040 CA :: 47.052 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.558 HA2 :: 3.405 HA3 :: 3.720 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.050 Ave N Shift Values>> N :: 109.91(4.29) 1.C87 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> P 0.52 I 0.38 C 0.05 W 0.01 C Shift Assignments>> C :: 176.787 CA :: 63.809 CB :: 26.744 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.304 HA :: 3.756 HB2 :: 2.268 HB3 :: 2.462 HG :: 1.315(A) Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 120.507 Ave N Shift Values>> N :: 119.95(4.79) 1.G88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 C 0.14 L 0.04 C Shift Assignments>> C :: 176.089 CA :: 46.676 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.858 HA2 :: 3.810 HA3 :: 3.814 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.363 Ave N Shift Values>> N :: 109.91(4.29) 1.A89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.62 M 0.32 C 0.02 HN Overlap>> 1.L114 1.L114 C Shift Assignments>> C :: 178.932 CA :: 53.633 CB :: 18.693 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.957 HA :: 4.241 HB1 :: 1.440 HB2 :: 1.440 HB3 :: 1.440 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.484 Ave N Shift Values>> N :: 123.23(3.7) 1.S90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.529 CA :: 59.752 CB :: 64.487 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.722 HA :: 4.464 HB2 :: 3.798 HB3 :: 3.732 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 110.554 Ave N Shift Values>> N :: 116.3(3.95) 1.L91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.35 G 0.35 C 0.19 A 0.06 R 0.03 C Shift Assignments>> C :: 176.007 CA :: 54.412 CB :: 44.626 CG :: 26.381 CD1 :: 26.349 CD2 :: 22.636 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.746 HA :: 4.506 HB2 :: 1.735 HB3 :: 1.429 HG :: 1.489 HD11 :: 0.744 HD12 :: 0.744 HD13 :: 0.744 HD21 :: 0.816 HD22 :: 0.816 HD23 :: 0.816 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 120.202 Ave N Shift Values>> N :: 121.98(4.07) 1.R92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.32 C 0.25 R 0.22 K 0.16 G 0.04 C Shift Assignments>> C :: 174.919 CA :: 56.144 CB :: 27.566 CG :: 26.756 CD :: 42.957 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.962 HA :: 4.184 HB2 :: 1.875 HB3 :: 1.807 HG2 :: 1.510 HG3 :: 1.508 HD2 :: 3.148 HD3 :: 3.149 HE :: 7.107 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 116.660 NE :: 84.557 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.L93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.58 C 0.19 G 0.19 R 0.02 C Shift Assignments>> C :: 175.975 CA :: 53.965 CB :: 43.833 CG :: 26.175 CD1 :: 25.264 CD2 :: 24.827 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.092 HA :: 4.382 HB2 :: 1.465 HB3 :: 1.383 HG :: 1.492 HD11 :: 0.829 HD12 :: 0.829 HD13 :: 0.829 HD21 :: 0.755 HD22 :: 0.755 HD23 :: 0.755 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 119.225 Ave N Shift Values>> N :: 121.98(4.07) 1.E94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.33 C 0.32 K 0.13 Q 0.09 M 0.06 I 0.04 C Shift Assignments>> C :: 176.804 CA :: 56.376 CB :: 29.559 CG :: 35.907 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.538 HA :: 4.270 HB2 :: 1.996 HB3 :: 1.952 HG2 :: 2.238 HG3 :: 2.268 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 123.988 Ave N Shift Values>> N :: 120.68(3.68) 1.T95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.82 C 0.15 S 0.02 C Shift Assignments>> C :: 172.952 CA :: 59.797 CB :: 68.168 CG2 :: 21.165 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.398 HA :: 4.549 HB :: 3.890 HG21 :: 0.975 HG22 :: 0.975 HG23 :: 0.975 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 115.988 Ave N Shift Values>> N :: 115.7(5.05) 1.F96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.73 F 0.25 C Shift Assignments>> C :: 172.091 CA :: 55.062 CB :: 38.608 CD1 :: 133.891 CD2 :: 133.918 CE1 :: 130.774 CE2 :: 130.942 CZ :: 129.000 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 7.393 HA :: 4.809 HB2 :: 3.514 HB3 :: 2.930 HD1 :: 7.273 HD2 :: 7.273 HE1 :: 7.246 HE2 :: 7.246 HZ :: 7.080 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 117.515 Ave N Shift Values>> N :: 120.69(4.18) 1.D97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.3 R 0.19 D 0.14 G 0.12 C 0.12 K 0.04 F 0.02 Y 0.01 N 0.01 C Shift Assignments>> C :: 177.714 CA :: 53.201 CB :: 43.473 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 9.205 HA :: 4.844 HB2 :: 2.791 HB3 :: 2.605 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 119.925 Ave N Shift Values>> N :: 120.73(4.2) 1.A98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.6 A 0.18 I 0.08 C 0.05 V 0.04 T 0.01 L 0.01 C Shift Assignments>> C :: 179.095 CA :: 56.521 CB :: 18.966 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.208 HA :: 4.135 HB1 :: 1.423 HB2 :: 1.423 HB3 :: 1.423 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 128.568 Ave N Shift Values>> N :: 123.23(3.7) 1.N99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.23 Y 0.21 F 0.16 N 0.12 E 0.08 D 0.08 I 0.04 L 0.02 M 0.01 C Shift Assignments>> C :: 177.779 CA :: 56.072 CB :: 38.262 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.787 HA :: 4.557 HB2 :: 2.841 HB3 :: 2.723 HD21 :: 7.825 HD22 :: 6.761 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 113.485 ND2 :: 112.684 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.D100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.26 Y 0.26 C 0.19 I 0.09 D 0.06 L 0.05 K 0.02 N 0.01 E 0.01 HN Overlap>> 1.M11 1.M11 C Shift Assignments>> C :: 177.210 CA :: 57.815 CB :: 39.632 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.223 HA :: 4.351 HB2 :: 2.894 HB3 :: 3.116 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 121.301 Ave N Shift Values>> N :: 120.73(4.2) 1.L101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 L 0.29 R 0.27 A 0.02 K 0.01 G 0.01 C Shift Assignments>> C :: 177.990 CA :: 56.477 CB :: 42.208 CG :: 27.501 CD1 :: 22.749 CD2 :: 27.124 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 6.969 HA :: 4.492 HB2 :: 2.100 HB3 :: 1.439 HG :: 1.619 HD11 :: 0.986 HD12 :: 0.986 HD13 :: 0.986 HD21 :: 1.032 HD22 :: 1.032 HD23 :: 1.032 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 115.787 Ave N Shift Values>> N :: 121.98(4.07) 1.Y102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.72 C 0.27 C Shift Assignments>> C :: 175.926 CA :: 62.539 CB :: 39.446 CD1 :: 133.307 CD2 :: 133.272 CE1 :: 117.785 CE2 :: 117.910 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 8.477 HA :: 4.046 HB2 :: 3.040 HB3 :: 2.997 HD1 :: 7.224 HD2 :: 7.224 HE1 :: 6.869 HE2 :: 6.869 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 119.103 Ave N Shift Values>> N :: 120.79(4.69) 1.Q103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.27 K 0.27 C 0.24 R 0.09 M 0.05 E 0.05 C Shift Assignments>> C :: 177.015 CA :: 54.960 CB :: 28.576 CG :: 33.356 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 7.892 HA :: 4.274 HB2 :: 2.371 HB3 :: 1.981 HG2 :: 2.643 HG3 :: 2.517 HE21 :: 7.709 HE22 :: 6.896 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 110.722 NE2 :: 111.471 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.G104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.12 L 0.05 C Shift Assignments>> C :: 174.659 CA :: 46.416 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.474 HA2 :: 3.713 HA3 :: 3.856 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.956 Ave N Shift Values>> N :: 109.91(4.29) 1.Q105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.26 C 0.24 K 0.21 M 0.15 E 0.09 R 0.03 C Shift Assignments>> C :: 175.715 CA :: 55.524 CB :: 29.982 CG :: 33.506 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.086 HA :: 4.379 HB2 :: 2.077 HB3 :: 1.819 HG2 :: 2.282 HG3 :: 2.281 HE21 :: 7.427 HE22 :: 6.848 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 117.340 NE2 :: 111.762 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.N106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.44 C 0.25 Y 0.07 E 0.06 D 0.05 M 0.04 F 0.04 K 0.01 C Shift Assignments>> C :: 175.406 CA :: 53.028 CB :: 37.181 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.634 HA :: 4.650 HB2 :: 2.902 HB3 :: 2.722 HD21 :: 7.808 HD22 :: 6.938 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 115.988 ND2 :: 113.685 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.F107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.64 C 0.33 Y 0.01 C Shift Assignments>> C :: 176.674 CA :: 61.428 CB :: 38.537 CD1 :: 131.766 CD2 :: 131.832 CE1 :: 129.891 CE2 :: 129.936 CZ :: 127.464 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.954 HA :: 4.006 HB2 :: 3.111 HB3 :: 2.844 HD1 :: 7.189 HD2 :: 7.189 HE1 :: 6.986 HE2 :: 6.986 HZ :: 6.753 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 121.790 Ave N Shift Values>> N :: 120.69(4.18) 1.N108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 E 0.23 Y 0.16 F 0.09 N 0.06 M 0.05 I 0.04 K 0.02 D 0.01 C Shift Assignments>> C :: 177.779 CA :: 56.448 CB :: 36.992 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.838 HA :: 4.141 HB2 :: 2.794 HB3 :: 2.726 HD21 :: 7.652 HD22 :: 6.972 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 116.351 ND2 :: 113.148 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.K109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.41 C 0.38 R 0.17 M 0.02 C Shift Assignments>> C :: 178.997 CA :: 58.546 CB :: 32.560 CG :: 24.990 CD :: 28.931 CE :: 41.855 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.476 HA :: 4.052 HB2 :: 1.936 HB3 :: 1.865 HG2 :: 1.480 HG3 :: 1.549 HD2 :: 1.763 HD3 :: 1.766 HE2 :: 3.025 HE3 :: 3.025 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 119.897 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.V110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.65 C 0.3 I 0.03 C Shift Assignments>> C :: 177.665 CA :: 64.256 CB :: 29.934 CG1 :: 19.303 CG2 :: 19.303 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 6.788 HA :: 2.982 HB :: 1.394 HG11 :: 0.136 HG12 :: 0.136 HG13 :: 0.136 HG21 :: 0.012 HG22 :: 0.012 HG23 :: 0.012 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 121.057 Ave N Shift Values>> N :: 121.02(4.96) 1.L111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 L 0.43 C Shift Assignments>> C :: 178.185 CA :: 57.616 CB :: 40.932 CG :: 24.581 CD1 :: 24.389 CD2 :: 24.772 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.699 HA :: 3.607 HB2 :: 1.390 HB3 :: 1.214 HG :: 0.751 HD11 :: 0.797 HD12 :: 0.797 HD13 :: 0.797 HD21 :: 0.733 HD22 :: 0.733 HD23 :: 0.733 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 118.614 Ave N Shift Values>> N :: 121.98(4.07) 1.S112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.210 CA :: 61.578 CB :: 62.397 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.033 HA :: 4.058 HB2 :: 3.893 HB3 :: 3.891 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 112.263 Ave N Shift Values>> N :: 116.3(3.95) 1.S113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.C76 1.C76 C Shift Assignments>> C :: 174.967 CA :: 62.452 CB :: 63.309 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.578 HA :: 4.440 HB2 :: 4.151 HB3 :: 4.298 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 117.745 Ave N Shift Values>> N :: 116.3(3.95) 1.L114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.51 C 0.39 R 0.06 A 0.01 HN Overlap>> 1.A89 1.A89 C Shift Assignments>> C :: 179.030 CA :: 57.632 CB :: 41.466 CG :: 26.722 CD1 :: 26.030 CD2 :: 22.177 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.972 HA :: 4.294 HB2 :: 2.082 HB3 :: 1.500 HG :: 1.978 HD11 :: 0.724 HD12 :: 0.724 HD13 :: 0.724 HD21 :: 0.852 HD22 :: 0.852 HD23 :: 0.852 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 121.403 Ave N Shift Values>> N :: 121.98(4.07) 1.V115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.94 C 0.05 C Shift Assignments>> C :: 179.079 CA :: 65.986 CB :: 31.333 CG1 :: 20.905 CG2 :: 22.105 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.367 HA :: 3.617 HB :: 2.136 HG11 :: 0.830 HG12 :: 0.830 HG13 :: 0.830 HG21 :: 0.924 HG22 :: 0.924 HG23 :: 0.924 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 121.973 Ave N Shift Values>> N :: 121.02(4.96) 1.T116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.97 C 0.02 HN Overlap>> 1.T17 1.T17 C Shift Assignments>> C :: 175.292 CA :: 66.800 CB :: 67.811 CG2 :: 22.694 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.018 HA :: 3.830 HB :: 4.371 HG21 :: 1.270 HG22 :: 1.270 HG23 :: 1.270 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 118.370 Ave N Shift Values>> N :: 115.7(5.05) 1.L117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.49 C 0.38 R 0.1 K 0.01 HN Overlap>> 1.V18 1.V18 C Shift Assignments>> C :: 178.542 CA :: 57.978 CB :: 41.553 CG :: 27.103 CD1 :: 23.923 CD2 :: 26.076 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.661 HA :: 3.987 HB2 :: 1.774 HB3 :: 2.232 HG :: 1.763 HD11 :: 0.909 HD12 :: 0.909 HD13 :: 0.909 HD21 :: 1.133 HD22 :: 1.133 HD23 :: 1.133 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 122.462 Ave N Shift Values>> N :: 121.98(4.07) 1.N118 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.27 E 0.19 Y 0.17 F 0.09 N 0.09 M 0.05 I 0.03 D 0.03 K 0.02 C Shift Assignments>> C :: 175.910 CA :: 56.036 CB :: 37.236 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 7.736 HA :: 3.549 HB2 :: 0.822(S) HB3 :: 2.352 HD21 :: 5.527(S) HD22 :: 6.121 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 118.753 ND2 :: 108.194 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.K119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.41 C 0.36 R 0.19 M 0.02 C Shift Assignments>> C :: 179.501 CA :: 59.507 CB :: 32.092 CG :: 24.548 CD :: 28.931 CE :: 41.910 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.596 HA :: 3.833 HB2 :: 1.884 HB3 :: 1.942 HG2 :: 1.460 HG3 :: 1.322 HD2 :: 1.596 HD3 :: 1.597 HE2 :: 2.863 HE3 :: 2.862 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 118.814 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.V120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.89 C 0.1 C Shift Assignments>> C :: 177.811 CA :: 64.531 CB :: 31.747 CG1 :: 21.063 CG2 :: 21.166 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.651 HA :: 4.082 HB :: 2.297 HG11 :: 1.031 HG12 :: 1.031 HG13 :: 1.031 HG21 :: 1.121 HG22 :: 1.121 HG23 :: 1.121 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 114.212 Ave N Shift Values>> N :: 121.02(4.96) 1.T121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.93 C 0.06 C Shift Assignments>> C :: 175.552 CA :: 62.697 CB :: 69.654 CG2 :: 22.156 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.689 HA :: 4.411 HB :: 4.561 HG21 :: 1.377 HG22 :: 1.377 HG23 :: 1.377 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 109.088 Ave N Shift Values>> N :: 115.7(5.05) 1.A122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.57 M 0.37 C 0.02 I 0.01 C Shift Assignments>> C :: 178.526 CA :: 53.979 CB :: 18.593 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.651 HA :: 4.270 HB1 :: 1.413 HB2 :: 1.413 HB3 :: 1.413 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.515 Ave N Shift Values>> N :: 123.23(3.7) 1.D123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.28 L 0.16 N 0.12 C 0.12 F 0.1 Y 0.08 K 0.08 R 0.01 C Shift Assignments>> C :: 176.722 CA :: 54.441 CB :: 40.701 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.163 HA :: 4.633 HB2 :: 2.755 HB3 :: 2.663 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 117.454 Ave N Shift Values>> N :: 120.73(4.2) 1.I124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.75 C 0.24 C Shift Assignments>> C :: 176.657 CA :: 62.074 CB :: 38.435 CG1 :: 27.374 CG2 :: 17.230 CD1 :: 13.315 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.780 HA :: 4.139 HB :: 1.981 HG12 :: 1.552 HG13 :: 1.240 HG21 :: 0.958 HG22 :: 0.958 HG23 :: 0.958 HD11 :: 0.887 HD12 :: 0.887 HD13 :: 0.887 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 118.859 Ave N Shift Values>> N :: 121.6(4.72) 1.G125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.78 L 0.08 C 0.07 R 0.03 C Shift Assignments>> C :: 173.391 CA :: 45.334 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.323 HA2 :: 3.953 HA3 :: 3.953 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.803 Ave N Shift Values>> N :: 109.91(4.29) 1.L126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.53 C 0.28 R 0.1 G 0.05 A 0.01 C Shift Assignments>> CA :: 56.202 CB :: 43.039 CG :: 26.989 CD1 :: 25.155 CD2 :: 22.913 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.724 HA :: 4.207 HB2 :: 1.602 HB3 :: 1.603 HG :: 1.595 HD11 :: 0.908 HD12 :: 0.908 HD13 :: 0.908 HD21 :: 0.872 HD22 :: 0.872 HD23 :: 0.872 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 127.225 Ave N Shift Values>> N :: 121.98(4.07) ########################################################################### Overall Results: #Consistent: 121 #Clerical: 0 #Suspicious: 2 #Anomalous: 3 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 118 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 8 Shift Relative Order (SRO) Results: #Consistent: 126 #Suspicious: 0 C Shift Results: #Consistent: 518 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 850 #Duplicate: 0 #Unknown: 0 #Suspicious: 3 #Anomalous: 3 N Shift Results: #Consistent: 128 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.Q42 HB2 = 0.917(S), Expected = 2.05, Std = 0.2800, ChiSquare = 5.2005e-05 1.C52 HG = 2.852(A), Expected = 1.66, Std = 0.4800, ChiSquare = 1.3016e-02 1.E75 HG3 = 0.703(A), Expected = 2.31, Std = 0.2100, ChiSquare = 1.9729e-14 1.C87 HG = 1.315(A), Expected = 1.66, Std = 0.4800, ChiSquare = 4.7230e-01 1.N118 HB2 = 0.822(S), Expected = 2.80, Std = 0.3400, ChiSquare = 5.9682e-09 1.N118 HD21 = 5.527(S), Expected = 7.27, Std = 0.5200, ChiSquare = 8.0252e-04