Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> L 0.31 R 0.24 K 0.13 D 0.08 C 0.07 F 0.06 Y 0.04 G 0.02 I 0.01 C Shift Assignments>> C :: 169.798 CA :: 42.653 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> HA2 :: 3.856 HA3 :: 3.856 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) 1.S2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.826 CA :: 57.710 CB :: 63.365 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.737 HA :: 4.446 HB2 :: 3.785 HB3 :: 3.785 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 :: 115.414 Ave N Shift Values>> N :: 116.3(3.95) 1.H3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.42 W 0.32 C 0.25 C Shift Assignments>> C :: 173.838 CA :: 54.924 CB :: 28.833 CD2 :: 119.399 CE1 :: 136.077 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>> H :: 8.714 HA :: 4.684 HB2 :: 3.202 HB3 :: 3.078 HD2 :: 7.151 HE1 :: 8.379 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) N Shift Assignments>> N :: 120.693 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.M4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.48 C 0.37 A 0.13 C Shift Assignments>> C :: 175.444 CA :: 54.922 CB :: 32.301 CG :: 31.393 CE :: 16.371 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 :: 8.498 HA :: 4.438 HB2 :: 2.000 HB3 :: 1.929 HG2 :: 2.493 HG3 :: 2.427 HE1 :: 2.027 HE2 :: 2.027 HE3 :: 2.027 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 :: 122.032 Ave N Shift Values>> N :: 120.1(3.88) 1.I5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.64 C 0.35 C Shift Assignments>> C :: 174.970 CA :: 60.568 CB :: 38.417 CG1 :: 26.776 CG2 :: 16.891 CD1 :: 12.486 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 :: 8.292 HA :: 4.102 HB :: 1.779 HG12 :: 1.399 HG13 :: 1.102 HG21 :: 0.815 HG22 :: 0.815 HG23 :: 0.815 HD11 :: 0.776 HD12 :: 0.776 HD13 :: 0.776 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 :: 122.114 Ave N Shift Values>> N :: 121.6(4.72) 1.N6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.54 C 0.18 D 0.12 Y 0.05 F 0.04 L 0.01 E 0.01 M 0.01 C Shift Assignments>> C :: 174.766 CA :: 52.274 CB :: 38.194 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 :: 8.636 HA :: 4.712 HB2 :: 2.858 HB3 :: 2.717 HD21 :: 7.661 HD22 :: 6.974 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 :: 122.794 ND2 :: 113.156 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.L7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.63 C 0.3 A 0.03 R 0.01 C Shift Assignments>> C :: 177.248 CA :: 55.359 CB :: 41.461 CG :: 26.488 CD1 :: 24.695 CD2 :: 22.823 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 :: 8.484 HA :: 4.197 HB2 :: 1.612 HB3 :: 1.543 HG :: 1.574 HD11 :: 0.847 HD12 :: 0.847 HD13 :: 0.847 HD21 :: 0.777 HD22 :: 0.777 HD23 :: 0.777 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 :: 123.220 Ave N Shift Values>> N :: 121.98(4.07) 1.E8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 E 0.3 K 0.16 Q 0.12 M 0.04 I 0.04 C Shift Assignments>> C :: 175.981 CA :: 56.589 CB :: 29.275 CG :: 35.664 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 :: 8.455 HA :: 4.091 HB2 :: 1.963 HB3 :: 1.873 HG2 :: 2.204 HG3 :: 2.204 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 :: 119.354 Ave N Shift Values>> N :: 120.68(3.68) 1.D9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 N 0.19 L 0.13 C 0.12 F 0.09 Y 0.08 K 0.04 HN Overlap>> 1.F90 1.F90 C Shift Assignments>> C :: 175.397 CA :: 53.931 CB :: 40.360 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 :: 8.136 HA :: 4.492 HB2 :: 2.527 HB3 :: 2.527 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 :: 119.780 Ave N Shift Values>> N :: 120.73(4.2) 1.Y10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.54 C 0.45 C Shift Assignments>> C :: 174.898 CA :: 57.667 CB :: 38.236 CD1 :: 132.610 CE1 :: 117.582 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 :: 7.902 HA :: 4.431 HB2 :: 2.844 HB3 :: 2.844 HD1 :: 6.908 HD2 :: 6.908 HE1 :: 6.686 HE2 :: 6.686 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 :: 119.939 Ave N Shift Values>> N :: 120.79(4.69) 1.W11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.55 C 0.41 H 0.02 C Shift Assignments>> C :: 175.212 CA :: 56.562 CB :: 29.293 CD1 :: 126.513 CE3 :: 120.321 CZ2 :: 114.119 CZ3 :: 121.444 CH2 :: 124.023 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 :: 7.917 HA :: 4.578 HB2 :: 3.219 HB3 :: 3.159 HD1 :: 7.178 HE1 :: 10.147 HE3 :: 7.516 HZ2 :: 7.447 HZ3 :: 7.085 HH2 :: 7.182 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 :: 122.648 NE1 :: 129.263 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.E12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 E 0.29 Q 0.14 K 0.13 M 0.11 I 0.01 C Shift Assignments>> C :: 175.138 CA :: 55.743 CB :: 30.001 CG :: 35.443 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 :: 8.030 HA :: 4.137 HB2 :: 1.932 HB3 :: 1.797 HG2 :: 2.101 HG3 :: 2.101 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 :: 122.189 Ave N Shift Values>> N :: 120.68(3.68) 1.D13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 N 0.16 L 0.15 C 0.11 F 0.08 K 0.07 Y 0.07 R 0.01 HN Overlap>> 1.R96 1.E29 1.R96 1.E29 C Shift Assignments>> C :: 175.700 CA :: 53.843 CB :: 40.715 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 :: 8.253 HA :: 4.500 HB2 :: 2.703 HB3 :: 2.563 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 :: 121.099 Ave N Shift Values>> N :: 120.73(4.2) 1.E14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.3 C 0.3 K 0.14 Q 0.12 M 0.08 I 0.02 C Shift Assignments>> C :: 176.002 CA :: 55.858 CB :: 29.758 CG :: 35.612 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 :: 8.435 HA :: 4.289 HB2 :: 2.072 HB3 :: 1.936 HG2 :: 2.268 HG3 :: 2.198 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 :: 121.240 Ave N Shift Values>> N :: 120.68(3.68) 1.T15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.86 C 0.13 HN Overlap>> 1.I92 1.I92 C Shift Assignments>> CA :: 59.646 CB :: 69.084 CG2 :: 20.796 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 :: 8.407 HA :: 4.503 HB :: 4.097 HG21 :: 1.226 HG22 :: 1.226 HG23 :: 1.226 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 :: 118.367 Ave N Shift Values>> N :: 115.7(5.05) 1.P16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.78 C 0.21 C Shift Assignments>> C :: 176.689 CA :: 62.791 CB :: 31.771 CG :: 26.836 CD :: 50.473 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 :: 4.408 HB2 :: 2.263 HB3 :: 1.943 HG2 :: 2.034 HG3 :: 1.942 HD2 :: 3.823 HD3 :: 3.676 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.G17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.32 L 0.24 R 0.23 C 0.1 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> CA :: 44.219 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.423 HA2 :: 4.010 HA3 :: 4.159 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.540 Ave N Shift Values>> N :: 109.91(4.29) 1.P18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.77 C 0.22 C Shift Assignments>> C :: 176.447 CA :: 62.843 CB :: 31.667 CG :: 26.686 CD :: 49.486 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 :: 4.412 HB2 :: 2.275 HB3 :: 1.938 HG2 :: 1.987 HG3 :: 1.987 HD2 :: 3.619 HD3 :: 3.619 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.D19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.29 N 0.21 C 0.12 L 0.12 F 0.09 Y 0.08 K 0.03 C Shift Assignments>> C :: 175.764 CA :: 53.940 CB :: 40.180 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 :: 8.517 HA :: 4.559 HB2 :: 2.702 HB3 :: 2.607 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 :: 119.197 Ave N Shift Values>> N :: 120.73(4.2) 1.R20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.56 C 0.4 G 0.03 C Shift Assignments>> C :: 175.724 CA :: 55.216 CB :: 30.184 CG :: 26.404 CD :: 42.630 CZ :: 158.938 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 :: 8.201 HA :: 4.356 HB2 :: 1.875 HB3 :: 1.730 HG2 :: 1.597 HG3 :: 1.597 HD2 :: 3.135 HD3 :: 3.135 HE :: 7.249 HH11 :: 6.957 HH12 :: 6.957 HH21 :: 6.529 HH22 :: 6.529 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 :: 120.435 NE :: 84.200 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.E21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 Q 0.2 K 0.2 E 0.18 M 0.05 R 0.01 C Shift Assignments>> CA :: 53.658 CB :: 28.984 CG :: 35.094 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 :: 8.371 HA :: 4.657 HB2 :: 2.071 HB3 :: 1.882 HG2 :: 2.346 HG3 :: 2.279 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 :: 122.477 Ave N Shift Values>> N :: 120.68(3.68) 1.P22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.75 C 0.24 C Shift Assignments>> C :: 176.323 CA :: 62.442 CB :: 31.903 CG :: 26.807 CD :: 50.032 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 :: 4.516 HB2 :: 2.228 HB3 :: 1.936 HG2 :: 2.059 HG3 :: 2.059 HD2 :: 3.858 HD3 :: 3.721 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.T23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.89 C 0.1 C Shift Assignments>> C :: 174.678 CA :: 60.521 CB :: 70.238 CG2 :: 21.315 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 :: 7.946 HA :: 4.373 HB :: 4.565 HG21 :: 1.308 HG22 :: 1.308 HG23 :: 1.308 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 :: 112.531 Ave N Shift Values>> N :: 115.7(5.05) 1.N24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.25 N 0.24 Y 0.14 E 0.11 F 0.08 D 0.06 M 0.03 I 0.01 L 0.01 K 0.01 C Shift Assignments>> C :: 176.397 CA :: 54.854 CB :: 37.535 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 :: 8.958 HA :: 4.467 HB2 :: 2.804 HB3 :: 2.804 HD21 :: 7.808 HD22 :: 7.067 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 :: 120.631 ND2 :: 113.418 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.E25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.28 I 0.19 K 0.11 Q 0.05 C Shift Assignments>> C :: 177.942 CA :: 59.195 CB :: 28.567 CG :: 35.952 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 :: 8.644 HA :: 4.076 HB2 :: 2.026 HB3 :: 2.026 HG2 :: 2.335 HG3 :: 2.335 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 :: 120.237 Ave N Shift Values>> N :: 120.68(3.68) 1.L26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.51 C 0.46 A 0.01 C Shift Assignments>> C :: 178.298 CA :: 56.940 CB :: 40.425 CG :: 26.415 CD1 :: 23.035 CD2 :: 25.272 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 :: 8.109 HA :: 4.247 HB2 :: 1.780 HB3 :: 1.568 HG :: 1.563 HD11 :: 0.992 HD12 :: 0.992 HD13 :: 0.992 HD21 :: 0.866 HD22 :: 0.866 HD23 :: 0.866 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 :: 122.376 Ave N Shift Values>> N :: 121.98(4.07) 1.R27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.54 C 0.41 G 0.04 HN Overlap>> 1.E99 1.E99 C Shift Assignments>> C :: 178.374 CA :: 59.892 CB :: 28.853 CG :: 27.577 CD :: 42.645 CZ :: 158.981 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 :: 8.225 HA :: 3.875 HB2 :: 1.905 HB3 :: 1.905 HG2 :: 1.739 HG3 :: 1.594 HD2 :: 3.236 HD3 :: 3.163 HE :: 7.433 HH11 :: 7.031 HH12 :: 7.031 HH21 :: 6.677 HH22 :: 6.677 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 :: 118.606 NE :: 83.805 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.N28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.27 Y 0.17 E 0.17 N 0.13 F 0.1 M 0.04 D 0.04 I 0.03 K 0.01 HN Overlap>> 1.T33 1.T33 C Shift Assignments>> C :: 177.043 CA :: 55.753 CB :: 37.388 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 :: 8.146 HA :: 4.452 HB2 :: 2.908 HB3 :: 2.908 HD21 :: 7.777 HD22 :: 6.906 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 :: 117.812 ND2 :: 112.610 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.E29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 E 0.28 K 0.14 Q 0.11 I 0.1 M 0.03 HN Overlap>> 1.D13 1.D13 C Shift Assignments>> C :: 180.215 CA :: 58.897 CB :: 29.202 CG :: 35.407 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 :: 8.247 HA :: 4.075 HB2 :: 2.244 HB3 :: 2.122 HG2 :: 2.353 HG3 :: 2.353 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 :: 121.177 Ave N Shift Values>> N :: 120.68(3.68) 1.V30 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 :: 176.589 CA :: 68.051 CB :: 31.196 CG1 :: 21.151 CG2 :: 25.237 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 :: 8.793 HA :: 3.413 HB :: 2.355 HG11 :: 0.862 HG12 :: 0.862 HG13 :: 0.862 HG21 :: 1.016 HG22 :: 1.016 HG23 :: 1.016 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 :: 123.509 Ave N Shift Values>> N :: 121.02(4.96) 1.E31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.27 I 0.17 K 0.12 Q 0.07 M 0.01 C Shift Assignments>> C :: 179.282 CA :: 59.379 CB :: 28.603 CG :: 35.645 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 :: 8.042 HA :: 3.946 HB2 :: 2.140 HB3 :: 2.140 HG2 :: 2.444 HG3 :: 2.282 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 :: 119.159 Ave N Shift Values>> N :: 120.68(3.68) 1.E32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.31 E 0.3 K 0.13 I 0.11 Q 0.09 M 0.02 HN Overlap>> 1.D81 1.D81 C Shift Assignments>> C :: 178.791 CA :: 58.770 CB :: 29.214 CG :: 35.631 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 :: 8.550 HA :: 4.056 HB2 :: 2.108 HB3 :: 2.028 HG2 :: 2.416 HG3 :: 2.223 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 :: 118.871 Ave N Shift Values>> N :: 120.68(3.68) 1.T33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.94 C 0.05 HN Overlap>> 1.N28 1.N28 C Shift Assignments>> C :: 175.681 CA :: 67.465 CB :: 66.888 CG2 :: 22.256 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 :: 8.205 HA :: 3.816 HB :: 4.199 HG21 :: 1.169 HG22 :: 1.169 HG23 :: 1.169 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 :: 117.719 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 0.94 C 0.05 C Shift Assignments>> C :: 176.731 CA :: 66.438 CB :: 37.311 CG2 :: 17.232 CD1 :: 14.386 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 :: 8.698 HA :: 3.442 HB :: 2.014 HG21 :: 0.873 HG22 :: 0.873 HG23 :: 0.873 HD11 :: 0.888 HD12 :: 0.888 HD13 :: 0.888 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 :: 123.925 Ave N Shift Values>> N :: 121.6(4.72) 1.T35 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.R59 1.R59 C Shift Assignments>> C :: 176.226 CA :: 66.447 CB :: 67.964 CG2 :: 21.387 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 :: 7.956 HA :: 3.929 HB :: 4.279 HG21 :: 1.233 HG22 :: 1.233 HG23 :: 1.233 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 :: 116.478 Ave N Shift Values>> N :: 115.7(5.05) 1.L36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.61 C 0.32 R 0.02 G 0.01 A 0.01 C Shift Assignments>> C :: 179.412 CA :: 57.274 CB :: 42.188 CG :: 26.110 CD1 :: 24.734 CD2 :: 22.711 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 :: 7.663 HA :: 4.075 HB2 :: 1.531 HB3 :: 1.994 HG :: 1.863 HD11 :: 0.932 HD12 :: 0.932 HD13 :: 0.932 HD21 :: 0.867 HD22 :: 0.867 HD23 :: 0.867 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 :: 119.834 Ave N Shift Values>> N :: 121.98(4.07) 1.M37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.88 M 0.06 A 0.04 HN Overlap>> 1.K89 1.K89 C Shift Assignments>> C :: 178.772 CA :: 57.865 CB :: 28.735 CG :: 28.789 CE :: 16.771 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 :: 8.509 HA :: 3.865 HB2 :: 2.615 HB3 :: 2.615 HG2 :: 1.943 HG3 :: 1.943 HE1 :: 2.086 HE2 :: 2.086 HE3 :: 2.086 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 :: 119.993 Ave N Shift Values>> N :: 120.1(3.88) 1.E38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 I 0.29 E 0.27 K 0.02 HN Overlap>> 1.I95 1.I95 C Shift Assignments>> C :: 176.040 CA :: 58.442 CB :: 28.943 CG :: 37.766 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 :: 8.321 HA :: 3.928 HB2 :: 2.190 HB3 :: 2.097 HG2 :: 2.715 HG3 :: 2.715 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 :: 120.011 Ave N Shift Values>> N :: 120.68(3.68) 1.L39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.57 C 0.24 A 0.13 R 0.02 G 0.01 HN Overlap>> 1.L40 1.L40 C Shift Assignments>> C :: 178.113 CA :: 54.614 CB :: 42.210 CG :: 25.826 CD1 :: 25.166 CD2 :: 21.992 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 :: 7.441 HA :: 4.393 HB2 :: 1.595 HB3 :: 1.986 HG :: 1.922 HD11 :: 0.925 HD12 :: 0.925 HD13 :: 0.925 HD21 :: 0.864 HD22 :: 0.864 HD23 :: 0.864 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 :: 118.349 Ave N Shift Values>> N :: 121.98(4.07) 1.L40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.41 C 0.34 A 0.21 R 0.02 HN Overlap>> 1.I67 1.L39 1.I67 1.L39 C Shift Assignments>> C :: 177.827 CA :: 54.659 CB :: 40.993 CG :: 26.113 CD1 :: 26.526 CD2 :: 21.538 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 :: 7.464 HA :: 4.400 HB2 :: 1.941 HB3 :: 1.941 HG :: 2.187 HD11 :: 0.903 HD12 :: 0.903 HD13 :: 0.903 HD21 :: 0.859 HD22 :: 0.859 HD23 :: 0.859 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 :: 118.362 Ave N Shift Values>> N :: 121.98(4.07) 1.K41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.5 C 0.39 R 0.07 M 0.02 C Shift Assignments>> C :: 177.911 CA :: 54.727 CB :: 33.768 CG :: 24.671 CD :: 28.803 CE :: 41.333 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 :: 9.254 HA :: 4.572 HB2 :: 2.256 HB3 :: 1.619 HG2 :: 1.626 HG3 :: 1.626 HD2 :: 1.757 HD3 :: 1.659 HE2 :: 3.013 HE3 :: 3.013 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 :: 120.851 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.V42 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 :: 176.560 CA :: 67.408 CB :: 31.056 CG1 :: 23.160 CG2 :: 20.342 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 :: 9.039 HA :: 3.699 HB :: 2.163 HG11 :: 1.133 HG12 :: 1.133 HG13 :: 1.133 HG21 :: 1.028 HG22 :: 1.028 HG23 :: 1.028 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 :: 122.215 Ave N Shift Values>> N :: 121.02(4.96) 1.S43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.910 CA :: 61.144 CB :: 60.933 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.686 HA :: 3.933 HB2 :: 3.954 HB3 :: 3.954 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 :: 114.377 Ave N Shift Values>> N :: 116.3(3.95) 1.E44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.35 M 0.1 K 0.06 I 0.06 Q 0.03 C Shift Assignments>> C :: 178.185 CA :: 57.315 CB :: 30.399 CG :: 36.320 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 :: 6.661 HA :: 4.363 HB2 :: 1.989 HB3 :: 1.989 HG2 :: 2.360 HG3 :: 2.360 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 :: 122.833 Ave N Shift Values>> N :: 120.68(3.68) 1.L45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.54 C 0.31 R 0.09 G 0.02 C Shift Assignments>> C :: 179.735 CA :: 57.359 CB :: 42.476 CG :: 26.279 CD1 :: 26.383 CD2 :: 23.797 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 :: 8.393 HA :: 3.918 HB2 :: 1.348 HB3 :: 1.348 HG :: 1.673 HD11 :: 0.978 HD12 :: 0.978 HD13 :: 0.978 HD21 :: 0.899 HD22 :: 0.899 HD23 :: 0.899 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 :: 119.110 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>> C 0.51 K 0.27 R 0.19 C Shift Assignments>> C :: 177.672 CA :: 60.844 CB :: 31.918 CG :: 26.847 CD :: 29.343 CE :: 41.325 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 :: 8.596 HA :: 3.816 HB2 :: 1.970 HB3 :: 1.970 HG2 :: 1.332 HG3 :: 1.332 HD2 :: 1.692 HD3 :: 1.692 HE2 :: 2.835 HE3 :: 2.835 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 :: 118.025 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>> Y 0.26 F 0.24 C 0.2 I 0.08 D 0.07 L 0.04 N 0.03 E 0.02 C Shift Assignments>> C :: 179.284 CA :: 57.422 CB :: 39.264 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 :: 7.448 HA :: 4.555 HB2 :: 3.001 HB3 :: 2.572 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 :: 119.267 Ave N Shift Values>> N :: 120.73(4.2) 1.I48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.87 C 0.12 HN Overlap>> 1.R84 1.R84 C Shift Assignments>> C :: 177.180 CA :: 64.604 CB :: 36.293 CG1 :: 28.469 CG2 :: 16.339 CD1 :: 12.968 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 :: 7.871 HA :: 3.653 HB :: 2.150 HG12 :: 1.133 HG13 :: 1.754 HG21 :: 0.827 HG22 :: 0.827 HG23 :: 0.827 HD11 :: 0.815 HD12 :: 0.815 HD13 :: 0.815 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 :: 120.817 Ave N Shift Values>> N :: 121.6(4.72) 1.C49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.46 P 0.43 C 0.05 V 0.03 C Shift Assignments>> C :: 176.288 CA :: 64.971 CB :: 25.872 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.543 HA :: 3.852 HB2 :: 2.699 HB3 :: 3.144 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 :: 117.775 Ave N Shift Values>> N :: 119.95(4.79) 1.R50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.53 C 0.43 G 0.03 C Shift Assignments>> C :: 179.270 CA :: 58.983 CB :: 29.512 CG :: 28.156 CD :: 42.576 CZ :: 158.798 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 :: 8.626 HA :: 4.058 HB2 :: 1.934 HB3 :: 1.934 HG2 :: 1.847 HG3 :: 1.606 HD2 :: 3.282 HD3 :: 3.223 HE :: 7.421 HH11 :: 7.011 HH12 :: 7.011 HH21 :: 6.607 HH22 :: 6.607 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 :: 118.702 NE :: 84.608 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.S51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.764 CA :: 61.745 CB :: 62.780 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.514 HA :: 4.308 HB2 :: 4.129 HB3 :: 4.129 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 :: 114.502 Ave N Shift Values>> N :: 116.3(3.95) 1.V52 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> V 0.52 C 0.46 C Shift Assignments>> C :: 173.462 CA :: 60.751 CB :: 30.719 CG1 :: 20.792 CG2 :: 19.426 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 :: 7.511 HA :: 3.760 HB :: 1.042 HG11 :: -0.288(S) HG12 :: -0.288(S) HG13 :: -0.288(S) HG21 :: -0.043 HG22 :: -0.043 HG23 :: -0.043 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 :: 113.832 Ave N Shift Values>> N :: 121.02(4.96) 1.S53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.065 CA :: 59.025 CB :: 60.895 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.653 HA :: 3.911 HB2 :: 4.160 HB3 :: 3.947 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 :: 112.698 Ave N Shift Values>> N :: 116.3(3.95) 1.F54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 F 0.3 Y 0.11 C Shift Assignments>> CA :: 51.743 CB :: 37.762 CD1 :: 129.501 CE1 :: 130.135 CZ :: 128.686 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 :: 8.332 HA :: 5.171 HB2 :: 3.154 HB3 :: 2.571 HD1 :: 6.982 HD2 :: 6.982 HE1 :: 6.765 HE2 :: 6.765 HZ :: 6.538 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 :: 120.132 Ave N Shift Values>> N :: 120.69(4.18) 1.P55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.72 C 0.27 C Shift Assignments>> C :: 176.296 CA :: 62.176 CB :: 31.347 CG :: 27.140 CD :: 49.670 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 :: 4.417 HB2 :: 2.315 HB3 :: 1.947 HG2 :: 1.947 HG3 :: 1.947 HD2 :: 3.806 HD3 :: 3.461 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.V56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.75 V 0.24 C Shift Assignments>> C :: 175.074 CA :: 59.863 CB :: 31.483 CG1 :: 18.189 CG2 :: 21.977 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 :: 7.986 HA :: 4.404 HB :: 2.330 HG11 :: 0.833 HG12 :: 0.833 HG13 :: 0.833 HG21 :: 0.936 HG22 :: 0.936 HG23 :: 0.936 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 :: 109.933 Ave N Shift Values>> N :: 121.02(4.96) 1.S57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.225 CA :: 57.295 CB :: 63.351 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.304 HA :: 4.363 HB2 :: 3.909 HB3 :: 3.743 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 :: 114.614 Ave N Shift Values>> N :: 116.3(3.95) 1.G58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.32 L 0.27 G 0.17 C 0.09 D 0.03 F 0.03 K 0.02 Y 0.02 C Shift Assignments>> C :: 172.483 CA :: 43.806 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.545 HA2 :: 4.009 HA3 :: 3.715 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.300 Ave N Shift Values>> N :: 109.91(4.29) 1.R59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.57 C 0.37 G 0.04 HN Overlap>> 1.T35 1.T35 C Shift Assignments>> C :: 176.019 CA :: 54.769 CB :: 30.447 CG :: 27.253 CD :: 42.750 CZ :: 158.979 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 :: 7.913 HA :: 4.371 HB2 :: 2.064 HB3 :: 1.840 HG2 :: 1.745 HG3 :: 1.745 HD2 :: 3.253 HD3 :: 3.253 HE :: 7.294 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 :: 116.392 NE :: 84.580 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.K60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 K 0.32 R 0.09 M 0.03 C Shift Assignments>> C :: 176.824 CA :: 61.236 CB :: 32.419 CG :: 23.203 CD :: 29.456 CE :: 41.550 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 :: 8.811 HA :: 3.606 HB2 :: 1.888 HB3 :: 1.888 HG2 :: 1.132 HG3 :: 1.132 HD2 :: 1.735 HD3 :: 1.735 HE2 :: 2.877 HE3 :: 2.877 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 :: 122.009 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.A61 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 :: 179.574 CA :: 54.617 CB :: 18.103 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.794 HA :: 4.129 HB1 :: 1.395 HB2 :: 1.395 HB3 :: 1.395 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 116.880 Ave N Shift Values>> N :: 123.23(3.7) 1.V62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.89 C 0.1 HN Overlap>> 1.V85 1.V85 C Shift Assignments>> C :: 178.103 CA :: 64.864 CB :: 31.301 CG1 :: 20.093 CG2 :: 22.195 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 :: 7.047 HA :: 3.701 HB :: 2.245 HG11 :: 0.932 HG12 :: 0.932 HG13 :: 0.932 HG21 :: 1.036 HG22 :: 1.036 HG23 :: 1.036 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 :: 117.408 Ave N Shift Values>> N :: 121.02(4.96) 1.L63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.34 C 0.29 K 0.26 R 0.08 C Shift Assignments>> C :: 178.692 CA :: 57.571 CB :: 41.711 CG :: 26.389 CD1 :: 26.824 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 :: 7.585 HA :: 3.923 HB2 :: 2.071 HB3 :: 1.242 HG :: 1.600 HD11 :: 0.790 HD12 :: 0.790 HD13 :: 0.790 HD21 :: 0.790 HD22 :: 0.790 HD23 :: 0.790 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 :: 119.573 Ave N Shift Values>> N :: 121.98(4.07) 1.Q64 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.14 Q 0.13 W 0.13 E 0.12 C 0.11 H 0.11 R 0.1 I 0.06 L 0.02 M 0.02 C Shift Assignments>> C :: 178.207 CA :: 58.039 CB :: 28.670 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 :: 8.373 HA :: 4.090 HB2 :: 2.356 HB3 :: 1.625 HE21 :: 8.987(S) HE22 :: 7.155 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 :: 114.206 NE2 :: 114.484 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.D65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.23 Y 0.23 C 0.18 D 0.11 L 0.08 I 0.05 N 0.03 K 0.03 E 0.01 C Shift Assignments>> C :: 178.113 CA :: 56.961 CB :: 39.856 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 :: 7.973 HA :: 4.353 HB2 :: 2.827 HB3 :: 2.609 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 :: 118.671 Ave N Shift Values>> N :: 120.73(4.2) 1.L66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.51 C 0.44 A 0.01 R 0.01 C Shift Assignments>> C :: 180.041 CA :: 57.549 CB :: 41.235 CG :: 25.745 CD1 :: 25.634 CD2 :: 22.166 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 :: 7.970 HA :: 3.838 HB2 :: 1.961 HB3 :: 0.780 HG :: 1.711 HD11 :: 0.744 HD12 :: 0.744 HD13 :: 0.744 HD21 :: 0.493 HD22 :: 0.493 HD23 :: 0.493 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 :: 119.708 Ave N Shift Values>> N :: 121.98(4.07) 1.I67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.85 C 0.14 HN Overlap>> 1.L40 1.L40 C Shift Assignments>> C :: 176.949 CA :: 63.895 CB :: 37.181 CG1 :: 28.419 CG2 :: 18.350 CD1 :: 12.891 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 :: 7.555 HA :: 3.794 HB :: 1.977 HG12 :: 1.771 HG13 :: 1.107 HG21 :: 0.962 HG22 :: 0.962 HG23 :: 0.962 HD11 :: 0.835 HD12 :: 0.835 HD13 :: 0.835 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 :: 118.309 Ave N Shift Values>> N :: 121.6(4.72) 1.R68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 R 0.25 K 0.2 I 0.16 G 0.01 C Shift Assignments>> C :: 177.728 CA :: 60.488 CB :: 29.897 CD :: 42.205 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 :: 9.489 HA :: 3.692 HB2 :: 1.944 HB3 :: 1.944 HG2 :: 1.464 HG3 :: 1.464 HD2 :: 3.376 HD3 :: 3.230 HE :: 7.037 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 :: 122.359 NE :: 81.051 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.N69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.25 Y 0.2 F 0.13 N 0.12 E 0.12 D 0.05 I 0.03 M 0.02 L 0.01 C Shift Assignments>> C :: 176.520 CA :: 55.945 CB :: 37.828 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 :: 8.546 HA :: 4.391 HB2 :: 2.709 HB3 :: 2.855 HD21 :: 7.577 HD22 :: 6.984 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 :: 116.248 ND2 :: 113.536 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.F70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.41 Y 0.33 C 0.25 C Shift Assignments>> C :: 177.756 CA :: 60.170 CB :: 39.838 CD1 :: 130.493 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 :: 7.693 HA :: 4.535 HB2 :: 3.566 HB3 :: 3.443 HD1 :: 7.173 HD2 :: 7.173 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 :: 121.134 Ave N Shift Values>> N :: 120.69(4.18) 1.L71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 L 0.41 A 0.05 R 0.02 G 0.02 C Shift Assignments>> C :: 178.037 CA :: 57.468 CB :: 42.156 CG :: 26.920 CD1 :: 23.383 CD2 :: 20.981 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 :: 8.336 HA :: 3.828 HB2 :: 2.020 HB3 :: 2.020 HD11 :: 0.937 HD12 :: 0.937 HD13 :: 0.937 HD21 :: 0.920 HD22 :: 0.920 HD23 :: 0.920 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 :: 117.959 Ave N Shift Values>> N :: 121.98(4.07) 1.Q72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 Q 0.22 K 0.18 R 0.13 E 0.05 I 0.03 C Shift Assignments>> C :: 179.337 CA :: 58.632 CB :: 27.010 CG :: 33.641 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 :: 8.802 HA :: 3.906 HB2 :: 2.173 HB3 :: 2.053 HG2 :: 2.547 HG3 :: 2.321 HE21 :: 7.181 HE22 :: 6.820 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 :: 117.479 NE2 :: 110.016 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.N73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.36 C 0.22 Y 0.11 D 0.09 F 0.07 E 0.06 M 0.02 L 0.01 I 0.01 C Shift Assignments>> C :: 175.490 CA :: 54.051 CB :: 37.810 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 :: 8.124 HA :: 4.602 HB2 :: 2.822 HB3 :: 2.822 HD21 :: 7.704 HD22 :: 6.991 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 :: 117.551 ND2 :: 112.052 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.A74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.69 M 0.26 C 0.02 C Shift Assignments>> C :: 176.255 CA :: 53.143 CB :: 19.064 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.787 HA :: 4.193 HB1 :: 1.500 HB2 :: 1.500 HB3 :: 1.500 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.962 Ave N Shift Values>> N :: 123.23(3.7) 1.L75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.65 C 0.2 A 0.11 R 0.01 C Shift Assignments>> C :: 175.867 CA :: 52.987 CB :: 41.490 CG :: 26.167 CD1 :: 25.272 CD2 :: 22.620 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 :: 7.381 HA :: 4.305 HB2 :: 1.904 HB3 :: 1.904 HG :: 1.586 HD11 :: 0.999 HD12 :: 0.999 HD13 :: 0.999 HD21 :: 0.734 HD22 :: 0.734 HD23 :: 0.734 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 :: 112.822 Ave N Shift Values>> N :: 121.98(4.07) 1.V76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.79 C 0.2 C Shift Assignments>> C :: 176.144 CA :: 62.994 CB :: 32.014 CG1 :: 20.655 CG2 :: 22.140 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 :: 6.797 HA :: 3.707 HB :: 1.838 HG11 :: 0.921 HG12 :: 0.921 HG13 :: 0.921 HG21 :: 1.041 HG22 :: 1.041 HG23 :: 1.041 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 :: 120.671 Ave N Shift Values>> N :: 121.02(4.96) 1.V77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.88 C 0.11 C Shift Assignments>> C :: 176.911 CA :: 64.673 CB :: 30.789 CG1 :: 20.382 CG2 :: 21.635 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 :: 8.407 HA :: 3.651 HB :: 1.985 HG11 :: 0.940 HG12 :: 0.940 HG13 :: 0.940 HG21 :: 1.069 HG22 :: 1.069 HG23 :: 1.069 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 :: 128.303 Ave N Shift Values>> N :: 121.02(4.96) 1.G78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.68 L 0.13 C 0.09 R 0.06 F 0.01 C Shift Assignments>> C :: 173.779 CA :: 45.004 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.827 HA2 :: 4.236 HA3 :: 3.738 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 116.087 Ave N Shift Values>> N :: 109.91(4.29) 1.K79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.48 C 0.33 R 0.12 M 0.03 C Shift Assignments>> C :: 175.177 CA :: 54.078 CB :: 32.708 CG :: 24.330 CD :: 28.688 CE :: 41.493 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 :: 8.140 HA :: 4.588 HB2 :: 1.931 HB3 :: 1.379 HG2 :: 1.311 HG3 :: 1.278 HD2 :: 1.643 HD3 :: 1.643 HE2 :: 2.921 HE3 :: 2.921 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 :: 121.612 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.S80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.793 CA :: 59.173 CB :: 63.288 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.241 HA :: 4.356 HB2 :: 3.739 HB3 :: 3.739 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 :: 117.166 Ave N Shift Values>> N :: 116.3(3.95) 1.D81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.33 N 0.21 C 0.18 L 0.12 K 0.03 F 0.02 G 0.02 Y 0.02 R 0.02 HN Overlap>> 1.E32 1.E32 C Shift Assignments>> CA :: 50.069 CB :: 41.498 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 :: 8.506 HA :: 5.423 HB2 :: 2.898 HB3 :: 2.671 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 :: 118.775 Ave N Shift Values>> N :: 120.73(4.2) 1.P82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.83 C 0.15 C Shift Assignments>> C :: 178.645 CA :: 63.656 CB :: 31.303 CG :: 26.272 CD :: 49.750 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 :: 4.271 HB2 :: 2.161 HB3 :: 1.460 HG2 :: 1.846 HG3 :: 1.327 HD2 :: 3.822 HD3 :: 3.501 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.Y83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 Y 0.38 H 0.04 W 0.01 C Shift Assignments>> C :: 176.904 CA :: 59.635 CB :: 35.602 CD1 :: 132.043 CE1 :: 118.258 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 :: 7.561 HA :: 4.163 HB2 :: 2.762 HB3 :: 2.654 HD1 :: 6.943 HD2 :: 6.943 HE1 :: 6.783 HE2 :: 6.783 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 :: 117.360 Ave N Shift Values>> N :: 120.79(4.69) 1.R84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.14 Q 0.13 W 0.13 C 0.13 E 0.11 H 0.1 I 0.09 R 0.06 L 0.04 M 0.01 HN Overlap>> 1.I48 1.I48 C Shift Assignments>> C :: 176.940 CA :: 58.332 CB :: 28.242 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 :: 7.898 HA :: 4.615 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 :: 120.833 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.V85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.87 C 0.11 HN Overlap>> 1.V62 1.V62 C Shift Assignments>> C :: 176.601 CA :: 65.663 CB :: 31.165 CG1 :: 23.115 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 :: 6.971 HA :: 3.417 HB :: 2.151 HG11 :: 0.951 HG12 :: 0.951 HG13 :: 0.951 HG21 :: 0.951 HG22 :: 0.951 HG23 :: 0.951 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 :: 117.345 Ave N Shift Values>> N :: 121.02(4.96) 1.Q86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.27 K 0.26 Q 0.21 R 0.14 E 0.04 M 0.03 C Shift Assignments>> C :: 178.602 CA :: 58.230 CB :: 28.240 CG :: 33.010 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 :: 7.536 HA :: 3.953 HB2 :: 2.129 HB3 :: 2.129 HG2 :: 2.491 HG3 :: 2.383 HE21 :: 7.504 HE22 :: 6.821 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 :: 117.137 NE2 :: 111.142 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.A87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.52 A 0.4 I 0.03 C 0.02 C Shift Assignments>> C :: 178.498 CA :: 54.905 CB :: 18.088 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 :: 4.048 HB1 :: 1.641 HB2 :: 1.641 HB3 :: 1.641 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.452 Ave N Shift Values>> N :: 123.23(3.7) 1.V88 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 :: 177.138 CA :: 67.315 CB :: 30.610 CG1 :: 21.079 CG2 :: 23.331 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 :: 8.515 HA :: 3.764 HB :: 2.268 HG11 :: 0.952 HG12 :: 0.952 HG13 :: 0.952 HG21 :: 1.323 HG22 :: 1.323 HG23 :: 1.323 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 :: 117.570 Ave N Shift Values>> N :: 121.02(4.96) 1.K89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 K 0.37 R 0.11 HN Overlap>> 1.M37 1.M37 C Shift Assignments>> C :: 178.096 CA :: 60.851 CB :: 31.974 CG :: 26.065 CD :: 29.348 CE :: 41.068 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 :: 8.612 HA :: 3.827 HB2 :: 2.065 HB3 :: 1.894 HG2 :: 1.658 HG3 :: 1.335 HD2 :: 1.712 HD3 :: 1.585 HE2 :: 2.839 HE3 :: 2.839 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 :: 120.005 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.F90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.39 Y 0.34 C 0.25 HN Overlap>> 1.D9 1.D9 C Shift Assignments>> C :: 177.748 CA :: 60.604 CB :: 38.349 CD1 :: 131.811 CE1 :: 130.592 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 :: 8.184 HA :: 4.302 HB2 :: 3.230 HB3 :: 3.582 HD1 :: 7.172 HD2 :: 7.172 HE1 :: 7.280 HE2 :: 7.280 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 :: 119.839 Ave N Shift Values>> N :: 120.69(4.18) 1.L91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 L 0.42 K 0.09 C Shift Assignments>> C :: 178.106 CA :: 58.058 CB :: 41.114 CG :: 25.692 CD1 :: 23.190 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 :: 8.604 HA :: 3.975 HG :: 2.414 HD11 :: 1.098 HD12 :: 1.098 HD13 :: 1.098 HD21 :: 1.098 HD22 :: 1.098 HD23 :: 1.098 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 :: 118.977 Ave N Shift Values>> N :: 121.98(4.07) 1.I92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.93 C 0.06 HN Overlap>> 1.T15 1.T15 C Shift Assignments>> C :: 176.952 CA :: 65.761 CB :: 37.372 CG2 :: 17.149 CD1 :: 13.089 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 :: 8.420 HA :: 3.542 HB :: 2.052 HG21 :: 0.908 HG22 :: 0.908 HG23 :: 0.908 HD11 :: 0.792 HD12 :: 0.792 HD13 :: 0.792 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 :: 118.378 Ave N Shift Values>> N :: 121.6(4.72) 1.E93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.28 I 0.14 K 0.13 Q 0.07 M 0.01 C Shift Assignments>> C :: 178.689 CA :: 58.766 CB :: 28.466 CG :: 35.766 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 :: 8.133 HA :: 4.038 HB2 :: 2.100 HB3 :: 2.100 HG2 :: 2.300 HG3 :: 2.300 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 :: 120.262 Ave N Shift Values>> N :: 120.68(3.68) 1.R94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.36 C 0.31 R 0.21 L 0.1 C Shift Assignments>> C :: 178.875 CA :: 58.343 CB :: 29.048 CG :: 26.077 CD :: 41.699 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 :: 7.952 HA :: 3.941 HB2 :: 1.945 HB3 :: 1.837 HG2 :: 1.747 HG3 :: 1.747 HD2 :: 2.926 HD3 :: 2.926 HE :: 7.325 HH11 :: 6.544 HH12 :: 6.544 HH21 :: 6.544 HH22 :: 6.544 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 :: 117.630 NE :: 82.952 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.I95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.81 C 0.18 HN Overlap>> 1.E38 1.E38 C Shift Assignments>> C :: 180.242 CA :: 63.296 CB :: 36.921 CG1 :: 29.252 CG2 :: 17.507 CD1 :: 13.821 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 :: 8.225 HA :: 3.972 HB :: 2.238 HG12 :: 1.834 HG13 :: 1.506 HG21 :: 1.023 HG22 :: 1.023 HG23 :: 1.023 HD11 :: 1.007 HD12 :: 1.007 HD13 :: 1.007 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 :: 120.056 Ave N Shift Values>> N :: 121.6(4.72) 1.R96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.54 C 0.42 G 0.03 HN Overlap>> 1.D13 1.D13 C Shift Assignments>> C :: 177.500 CA :: 58.401 CB :: 29.474 CG :: 27.116 CD :: 42.582 CZ :: 159.274 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 :: 8.259 HA :: 4.068 HB2 :: 1.943 HB3 :: 1.943 HG2 :: 1.620 HG3 :: 1.857 HD2 :: 3.190 HD3 :: 3.138 HE :: 7.496 HH11 :: 7.004 HH12 :: 7.004 HH21 :: 6.710 HH22 :: 6.710 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 :: 121.023 NE :: 83.328 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.K97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.44 C 0.36 R 0.15 M 0.02 C Shift Assignments>> C :: 174.901 CA :: 55.282 CB :: 32.112 CG :: 24.789 CD :: 28.463 CE :: 41.215 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 :: 7.527 HA :: 4.274 HB2 :: 2.031 HB3 :: 1.596 HG2 :: 1.384 HG3 :: 1.384 HD2 :: 1.565 HD3 :: 1.565 HE2 :: 2.881 HE3 :: 2.881 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 :: 116.750 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.N98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 N 0.29 E 0.13 Y 0.08 M 0.08 F 0.04 D 0.02 K 0.02 C Shift Assignments>> C :: 173.779 CA :: 53.822 CB :: 36.674 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 :: 8.150 HA :: 4.370 HB2 :: 2.766 HB3 :: 3.117 HD21 :: 7.573 HD22 :: 6.836 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 :: 116.979 ND2 :: 112.053 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.E99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 E 0.22 M 0.18 Q 0.09 K 0.08 HN Overlap>> 1.R27 1.R27 C Shift Assignments>> CA :: 52.891 CB :: 30.358 CG :: 35.686 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 :: 8.236 HA :: 4.673 HG2 :: 2.228 HG3 :: 2.228 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 :: 118.529 Ave N Shift Values>> N :: 120.68(3.68) 1.P100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.7 C 0.29 C Shift Assignments>> C :: 176.184 CA :: 62.037 CB :: 31.609 CG :: 27.140 CD :: 49.551 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 :: 4.272 HB2 :: 2.244 HB3 :: 1.773 HG2 :: 1.993 HG3 :: 1.993 HD2 :: 3.749 HD3 :: 3.749 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.L101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.53 C 0.42 R 0.02 A 0.01 C Shift Assignments>> CA :: 52.524 CB :: 40.422 CG :: 28.702 CD1 :: 24.606 CD2 :: 25.089 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 :: 8.832 HA :: 4.654 HB2 :: 1.774 HB3 :: 1.609 HG :: 1.836 HD11 :: 1.007 HD12 :: 1.007 HD13 :: 1.007 HD21 :: 0.943 HD22 :: 0.943 HD23 :: 0.943 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 :: 122.794 Ave N Shift Values>> N :: 121.98(4.07) 1.P102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.51 C 0.48 C Shift Assignments>> C :: 174.604 CA :: 61.075 CB :: 31.778 CD :: 49.821 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 :: 4.629 HB2 :: 2.340 HB3 :: 1.941 HD2 :: 3.652 HD3 :: 3.652 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.V103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.77 C 0.19 M 0.01 I 0.01 C Shift Assignments>> C :: 177.396 CA :: 62.977 CB :: 31.731 CG1 :: 21.581 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 :: 8.661 HA :: 3.860 HB :: 2.173 HG11 :: 1.147 HG12 :: 1.147 HG13 :: 1.147 HG21 :: 1.095 HG22 :: 1.095 HG23 :: 1.095 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 :: 120.834 Ave N Shift Values>> N :: 121.02(4.96) 1.Y104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.66 C 0.33 C Shift Assignments>> C :: 175.877 CA :: 62.855 CB :: 38.429 CD1 :: 132.392 CE1 :: 117.027 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 :: 8.487 HA :: 3.802 HB2 :: 2.965 HB3 :: 2.965 HD1 :: 6.842 HD2 :: 6.842 HE1 :: 6.622 HE2 :: 6.622 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 :: 129.973 Ave N Shift Values>> N :: 120.79(4.69) 1.K105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.41 C 0.41 R 0.14 M 0.02 C Shift Assignments>> C :: 177.370 CA :: 59.343 CB :: 31.739 CG :: 24.165 CD :: 28.586 CE :: 41.196 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 :: 8.848 HA :: 3.810 HB2 :: 1.762 HB3 :: 1.885 HG2 :: 1.477 HG3 :: 1.477 HD2 :: 1.663 HD3 :: 1.663 HE2 :: 2.931 HE3 :: 2.931 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 :: 117.165 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.D106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.21 F 0.19 C 0.18 D 0.15 N 0.09 L 0.07 I 0.03 E 0.01 K 0.01 C Shift Assignments>> C :: 178.180 CA :: 56.155 CB :: 39.467 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 :: 6.781 HA :: 4.454 HB2 :: 2.796 HB3 :: 2.665 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 :: 117.011 Ave N Shift Values>> N :: 120.73(4.2) 1.L107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 L 0.21 R 0.19 A 0.05 C Shift Assignments>> C :: 176.403 CA :: 56.938 CB :: 41.707 CG :: 26.532 CD1 :: 21.564 CD2 :: 27.133 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 :: 7.687 HA :: 4.000 HB2 :: 1.253 HB3 :: 1.737 HG :: 1.252 HD11 :: 0.366 HD12 :: 0.366 HD13 :: 0.366 HD21 :: 0.917 HD22 :: 0.917 HD23 :: 0.917 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 :: 124.145 Ave N Shift Values>> N :: 121.98(4.07) 1.W108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.7 C 0.29 C Shift Assignments>> C :: 176.983 CA :: 62.392 CB :: 28.316 CE3 :: 119.784 CZ2 :: 114.056 CZ3 :: 121.318 CH2 :: 123.552 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 :: 9.072 HA :: 3.547 HB2 :: 2.928 HB3 :: 2.207 HE3 :: 7.413 HZ2 :: 7.463 HZ3 :: 7.065 HH2 :: 7.036 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 :: 120.039 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.N109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.24 Y 0.19 N 0.15 F 0.13 E 0.1 D 0.07 I 0.03 M 0.02 L 0.02 C Shift Assignments>> C :: 176.928 CA :: 55.662 CB :: 37.973 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 :: 8.058 HA :: 3.994 HB2 :: 2.934 HB3 :: 2.611 HD21 :: 7.800 HD22 :: 7.176 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 :: 113.557 ND2 :: 113.345 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.A110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.51 A 0.43 I 0.02 C 0.02 C Shift Assignments>> C :: 180.452 CA :: 54.261 CB :: 17.322 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.718 HA :: 3.979 HB1 :: 1.372 HB2 :: 1.372 HB3 :: 1.372 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.997 Ave N Shift Values>> N :: 123.23(3.7) 1.L111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.45 C 0.42 A 0.1 R 0.01 C Shift Assignments>> C :: 178.144 CA :: 56.264 CB :: 41.134 CG :: 25.730 CD1 :: 25.472 CD2 :: 21.388 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 :: 8.200 HA :: 3.857 HB2 :: 1.249 HB3 :: 1.593 HG :: 1.706 HD11 :: 0.717 HD12 :: 0.717 HD13 :: 0.717 HD21 :: 0.698 HD22 :: 0.698 HD23 :: 0.698 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 :: 119.150 Ave N Shift Values>> N :: 121.98(4.07) 1.R112 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.35 C 0.25 R 0.2 L 0.18 C Shift Assignments>> C :: 176.348 CA :: 56.443 CB :: 28.901 CG :: 25.617 CD :: 42.081 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 :: 7.365 HA :: 2.642(S) HB2 :: 0.892 HB3 :: 0.702(S) HG2 :: 0.702 HG3 :: 0.702 HD2 :: 2.020(S) HD3 :: 1.771(S) HE :: 6.643 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 :: 117.178 NE :: 84.327 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.K113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.4 C 0.37 R 0.18 M 0.03 C Shift Assignments>> C :: 176.164 CA :: 56.410 CB :: 32.091 CG :: 24.275 CD :: 28.458 CE :: 41.366 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 :: 7.145 HA :: 4.018 HB2 :: 1.805 HB3 :: 1.696 HG2 :: 1.385 HG3 :: 1.308 HD2 :: 1.561 HD3 :: 1.561 HE2 :: 2.888 HE3 :: 2.888 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 :: 118.628 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.G114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.08 L 0.07 R 0.02 C Shift Assignments>> CA :: 45.611 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.536 HA2 :: 3.644 HA3 :: 3.644 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 113.443 Ave N Shift Values>> N :: 109.91(4.29) ########################################################################### Overall Results: #Consistent: 111 #Clerical: 0 #Suspicious: 3 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 114 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 114 #Suspicious: 0 C Shift Results: #Consistent: 505 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 853 #Duplicate: 0 #Unknown: 0 #Suspicious: 8 #Anomalous: 0 N Shift Results: #Consistent: 125 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.V52 HG11 = -0.288(S), Expected = 0.84, Std = 0.2700, ChiSquare = 2.9437e-05 1.V52 HG12 = -0.288(S), Expected = 0.84, Std = 0.2700, ChiSquare = 2.9437e-05 1.V52 HG13 = -0.288(S), Expected = 0.84, Std = 0.2700, ChiSquare = 2.9437e-05 1.Q64 HE21 = 8.987(S), Expected = 7.17, Std = 0.4600, ChiSquare = 7.8151e-05 1.R112 HA = 2.642(S), Expected = 4.27, Std = 0.4400, ChiSquare = 2.1560e-04 1.R112 HB3 = 0.702(S), Expected = 1.78, Std = 0.2800, ChiSquare = 1.1812e-04 1.R112 HD2 = 2.020(S), Expected = 3.13, Std = 0.2300, ChiSquare = 1.3924e-06 1.R112 HD3 = 1.771(S), Expected = 3.13, Std = 0.2200, ChiSquare = 6.5218e-10