Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.N2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.4 D 0.33 L 0.09 F 0.07 Y 0.06 K 0.01 C Shift Assignments>> CA :: 52.703 CB :: 39.875 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>> HA :: 5.107 HB2 :: 2.730 HB3 :: 2.731 HD21 :: 7.283 HD22 :: 7.029 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>> ND2 :: 112.061 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.I3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> CA :: 60.599 CB :: 40.661 CG1 :: 27.365 CG2 :: 17.226 CD1 :: 13.365 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 :: 8.683 HA :: 4.724 HB :: 1.428 HG12 :: 1.425 HG13 :: 0.741 HG21 :: 0.575 HG22 :: 0.575 HG23 :: 0.575 HD11 :: 0.506 HD12 :: 0.506 HD13 :: 0.506 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 :: 122.350 Ave N Shift Values>> N :: 121.6(4.72) 1.V4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.98 I 0.01 C Shift Assignments>> CA :: 60.004 CB :: 34.741 CG1 :: 20.478 CG2 :: 22.056 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 :: 8.478 HA :: 4.676 HB :: 1.597 HG11 :: 0.555 HG12 :: 0.555 HG13 :: 0.555 HG21 :: 0.677 HG22 :: 0.677 HG23 :: 0.677 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 :: 126.503 Ave N Shift Values>> N :: 121.02(4.96) 1.I5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.94 A 0.04 C Shift Assignments>> CA :: 57.813 CB :: 38.849 CG1 :: 27.450 CG2 :: 16.816 CD1 :: 14.445 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 :: 8.914 HA :: 5.142 HB :: 1.637 HG12 :: 1.314 HG13 :: 0.901 HG21 :: 0.506 HG22 :: 0.506 HG23 :: 0.506 HD11 :: 0.563 HD12 :: 0.563 HD13 :: 0.563 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 :: 125.246 Ave N Shift Values>> N :: 121.6(4.72) 1.V6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> CA :: 61.167 CB :: 32.328 CG1 :: 22.124 CG2 :: 20.113 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 :: 9.377 HA :: 4.435 HB :: 1.974 HG11 :: 0.504 HG12 :: 0.504 HG13 :: 0.504 HG21 :: 0.591 HG22 :: 0.591 HG23 :: 0.591 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 :: 128.661 Ave N Shift Values>> N :: 121.02(4.96) 1.V7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.R105 1.R105 C Shift Assignments>> CA :: 60.377 CB :: 33.233 CG1 :: 21.572 CG2 :: 21.601 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 :: 8.927 HA :: 4.582 HB :: 1.888 HG11 :: 0.593 HG12 :: 0.593 HG13 :: 0.593 HG21 :: 0.454 HG22 :: 0.454 HG23 :: 0.454 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 :: 125.027 Ave N Shift Values>> N :: 121.02(4.96) 1.F8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.96 Y 0.03 C Shift Assignments>> CA :: 56.389 CB :: 37.377 CD1 :: 131.752 CD2 :: 131.925 CE1 :: 129.563 CE2 :: 129.802 CZ :: 127.344 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 :: 8.664 HA :: 4.814 HB2 :: 3.032 HB3 :: 2.899 HD1 :: 6.889 HD2 :: 6.889 HE1 :: 6.403 HE2 :: 6.403 HZ :: 5.447 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 :: 128.741 Ave N Shift Values>> N :: 120.69(4.18) 1.S9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 58.560 CB :: 64.221 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.970 HA :: 4.413 HB2 :: 3.463 HB3 :: 4.064 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 :: 115.466 Ave N Shift Values>> N :: 116.3(3.95) 1.T10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> CA :: 60.300 CB :: 68.917 CG2 :: 20.917 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 :: 8.342 HA :: 4.357 HB :: 4.305 HG21 :: 1.007 HG22 :: 1.007 HG23 :: 1.007 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 :: 113.663 Ave N Shift Values>> N :: 115.7(5.05) 1.D11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.29 L 0.27 K 0.14 R 0.09 N 0.07 F 0.05 Y 0.04 C Shift Assignments>> CA :: 53.462 CB :: 42.011 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 :: 8.203 HA :: 4.552 HB2 :: 2.682 HB3 :: 2.744 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 :: 123.334 Ave N Shift Values>> N :: 120.73(4.2) 1.E12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.45 I 0.24 K 0.16 Q 0.09 M 0.03 C Shift Assignments>> CA :: 59.437 CB :: 29.192 CG :: 35.787 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 :: 8.869 HA :: 3.843 HB2 :: 1.995 HB3 :: 1.993 HG2 :: 2.278 HG3 :: 2.277 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 :: 126.361 Ave N Shift Values>> N :: 120.68(3.68) 1.E13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.43 I 0.21 K 0.19 Q 0.11 M 0.02 R 0.01 C Shift Assignments>> CA :: 59.014 CB :: 28.819 CG :: 35.727 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 :: 8.363 HA :: 4.017 HB2 :: 1.982 HB3 :: 2.071 HG2 :: 2.219 HG3 :: 2.219 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 :: 119.922 Ave N Shift Values>> N :: 120.68(3.68) 1.T14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> CA :: 66.967 CB :: 67.859 CG2 :: 21.008 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 :: 7.831 HA :: 3.536 HB :: 4.007 HG21 :: 0.614 HG22 :: 0.614 HG23 :: 0.614 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 :: 118.198 Ave N Shift Values>> N :: 115.7(5.05) 1.L15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.97 R 0.01 C Shift Assignments>> CA :: 58.002 CB :: 40.844 CG :: 27.036 CD1 :: 23.754 CD2 :: 24.096 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 :: 7.637 HA :: 3.650 HB2 :: 1.447 HB3 :: 1.592 HG :: 1.440 HD11 :: 0.669 HD12 :: 0.669 HD13 :: 0.669 HD21 :: 0.686 HD22 :: 0.686 HD23 :: 0.686 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 :: 120.447 Ave N Shift Values>> N :: 121.98(4.07) 1.R16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.74 G 0.12 K 0.1 L 0.02 HN Overlap>> 1.K23 1.K23 C Shift Assignments>> CA :: 59.863 CB :: 29.555 CG :: 27.511 CD :: 43.174 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 :: 8.210 HA :: 3.765 HB2 :: 1.916 HB3 :: 1.915 HG2 :: 1.553 HG3 :: 1.713 HD2 :: 3.158 HD3 :: 3.158 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 :: 119.345 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.K17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.67 R 0.28 M 0.03 G 0.01 C Shift Assignments>> CA :: 59.416 CB :: 31.969 CG :: 25.107 CD :: 29.279 CE :: 41.903 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 :: 7.716 HA :: 4.046 HB2 :: 1.948 HB3 :: 1.730 HG2 :: 1.401 HG3 :: 1.399 HD2 :: 1.571 HD3 :: 1.652 HE2 :: 2.885 HE3 :: 2.885 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 :: 118.852 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.F18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.67 Y 0.32 C Shift Assignments>> CA :: 60.860 CB :: 37.506 CD1 :: 129.278 CD2 :: 129.410 CE1 :: 129.401 CE2 :: 129.441 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 :: 8.004 HA :: 4.028 HB2 :: 2.343 HB3 :: 3.096 HD1 :: 6.412 HD2 :: 6.412 HE1 :: 6.080 HE2 :: 6.080 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 :: 117.815 Ave N Shift Values>> N :: 120.69(4.18) 1.K19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.68 R 0.27 M 0.01 G 0.01 C Shift Assignments>> CA :: 60.765 CB :: 31.902 CG :: 25.589 CD :: 29.401 CE :: 41.780 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 :: 8.418 HA :: 3.741 HB2 :: 1.973 HB3 :: 1.811 HG2 :: 1.159 HG3 :: 1.686 HD2 :: 1.610 HD3 :: 1.610 HE2 :: 2.924 HE3 :: 2.920 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 :: 117.651 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.D20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.33 Y 0.27 I 0.17 K 0.1 L 0.05 D 0.02 R 0.01 HN Overlap>> 1.K23 1.K23 C Shift Assignments>> CA :: 59.457 CB :: 40.654 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 :: 8.286 HA :: 4.371 HB2 :: 2.771 HB3 :: 2.628 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 :: 119.226 Ave N Shift Values>> N :: 120.73(4.2) 1.I21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> 1.L120 1.L120 1.E91 1.E91 C Shift Assignments>> CA :: 64.812 CB :: 38.409 CG1 :: 29.888 CG2 :: 18.000 CD1 :: 14.911 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 :: 7.819 HA :: 3.583 HB :: 1.991 HG12 :: 0.977 HG13 :: 1.893 HG21 :: 0.667 HG22 :: 0.667 HG23 :: 0.667 HD11 :: 0.836 HD12 :: 0.836 HD13 :: 0.836 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 :: 120.262 Ave N Shift Values>> N :: 121.6(4.72) 1.I22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> CA :: 66.721 CB :: 38.551 CG1 :: 29.804 CG2 :: 20.316 CD1 :: 14.348 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 :: 8.049 HA :: 3.320 HB :: 1.894 HG12 :: 0.755 HG13 :: 2.089 HG21 :: 0.800 HG22 :: 0.800 HG23 :: 0.800 HD11 :: 0.691 HD12 :: 0.691 HD13 :: 0.691 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 :: 121.495 Ave N Shift Values>> N :: 121.6(4.72) 1.K23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.7 R 0.26 M 0.03 HN Overlap>> 1.D20 1.R16 1.D20 1.R16 C Shift Assignments>> CA :: 59.146 CB :: 31.908 CG :: 25.547 CD :: 29.401 CE :: 41.484 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 :: 8.279 HA :: 4.561 HB2 :: 1.909 HB3 :: 1.910 HG2 :: 1.675 HG3 :: 1.676 HD2 :: 1.721 HD3 :: 1.723 HE2 :: 2.930 HE3 :: 2.930 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 :: 119.277 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.K24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.61 R 0.34 M 0.02 C Shift Assignments>> CA :: 58.445 CB :: 31.761 CG :: 25.135 CD :: 28.791 CE :: 41.780 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 :: 8.368 HA :: 4.067 HB2 :: 1.872 HB3 :: 1.951 HG2 :: 1.511 HG3 :: 1.515 HD2 :: 1.585 HD3 :: 1.585 HE2 :: 2.910 HE3 :: 2.912 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 :: 121.039 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.N25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.33 N 0.19 L 0.16 F 0.11 Y 0.1 K 0.06 C Shift Assignments>> CA :: 54.262 CB :: 40.422 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 :: 7.421 HA :: 4.622 HB2 :: 2.945 HB3 :: 2.618 HD21 :: 7.384 HD22 :: 7.567 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 :: 115.466 ND2 :: 113.817 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.G26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 L 0.08 R 0.02 C Shift Assignments>> CA :: 45.588 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.872 HA2 :: 3.643 HA3 :: 3.950 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 105.030 Ave N Shift Values>> N :: 109.91(4.29) 1.F27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.99 C Shift Assignments>> CA :: 56.717 CB :: 41.488 CD1 :: 131.152 CD2 :: 131.330 CE1 :: 131.169 CE2 :: 131.020 CZ :: 129.130 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 :: 7.249 HA :: 4.807 HB2 :: 3.024 HB3 :: 2.656 HD1 :: 6.976 HD2 :: 6.976 HE1 :: 7.184 HE2 :: 7.184 HZ :: 7.101 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 :: 118.307 Ave N Shift Values>> N :: 120.69(4.18) 1.K28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.71 R 0.24 M 0.02 HN Overlap>> 1.D59 1.D59 C Shift Assignments>> CA :: 55.206 CB :: 33.453 CG :: 25.317 CD :: 28.791 CE :: 41.806 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 :: 8.594 HA :: 4.489 HB2 :: 1.818 HB3 :: 1.818 HG2 :: 1.488 HG3 :: 1.415 HD2 :: 1.610 HD3 :: 1.606 HE2 :: 2.906 HE3 :: 2.906 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 :: 120.001 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.V29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.98 I 0.01 C Shift Assignments>> CA :: 60.127 CB :: 34.660 CG1 :: 20.984 CG2 :: 22.865 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 :: 8.437 HA :: 5.018 HB :: 1.912 HG11 :: 0.854 HG12 :: 0.854 HG13 :: 0.854 HG21 :: 0.912 HG22 :: 0.912 HG23 :: 0.912 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 :: 119.454 Ave N Shift Values>> N :: 121.02(4.96) 1.R30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.62 K 0.22 G 0.15 C Shift Assignments>> CA :: 54.051 CB :: 32.496 CG :: 26.962 CD :: 43.293 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 :: 8.241 HA :: 4.691 HB2 :: 1.677 HB3 :: 1.532 HG2 :: 1.537 HG3 :: 1.479 HD2 :: 3.099 HD3 :: 3.168 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 :: 128.376 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.T31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 HN Overlap>> 1.N50 1.N50 C Shift Assignments>> CA :: 61.686 CB :: 68.819 CG2 :: 21.679 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 :: 8.646 HA :: 5.004 HB :: 3.917 HG21 :: 0.995 HG22 :: 0.995 HG23 :: 0.995 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 :: 121.760 Ave N Shift Values>> N :: 115.7(5.05) 1.V32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> CA :: 60.183 CB :: 34.634 CG1 :: 22.045 CG2 :: 21.234 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 :: 9.355 HA :: 4.512 HB :: 1.973 HG11 :: 0.892 HG12 :: 0.892 HG13 :: 0.892 HG21 :: 0.796 HG22 :: 0.796 HG23 :: 0.796 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 :: 123.498 Ave N Shift Values>> N :: 121.02(4.96) 1.R33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.54 K 0.38 G 0.07 C Shift Assignments>> CA :: 55.134 CB :: 32.038 CG :: 27.999 CD :: 43.066 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 :: 9.164 HA :: 4.827 HB2 :: 1.936 HB3 :: 1.641 HG2 :: 1.488 HG3 :: 1.488 HD2 :: 3.094 HD3 :: 3.094 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 :: 122.328 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.S34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 55.038 CB :: 64.546 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.546 HA :: 4.254 HB2 :: 3.572 HB3 :: 3.941 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 :: 113.499 Ave N Shift Values>> N :: 116.3(3.95) 1.P35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> CA :: 65.441 CB :: 31.591 CG :: 27.082 CD :: 50.230 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 :: 4.035 HB2 :: 1.802 HB3 :: 2.188 HG2 :: 1.910 HG3 :: 1.532 HD2 :: 3.507 HD3 :: 2.784 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.Q36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.34 Q 0.31 R 0.19 E 0.07 M 0.03 I 0.02 P 0.01 C Shift Assignments>> CA :: 58.787 CB :: 27.825 CG :: 33.301 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 :: 7.656 HA :: 3.806 HB2 :: 2.050 HB3 :: 1.831 HG2 :: 2.270 HG3 :: 2.352 HE21 :: 7.628 HE22 :: 6.727 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 :: 117.301 NE2 :: 114.136 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.E37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.6 I 0.17 M 0.12 K 0.07 Q 0.02 C Shift Assignments>> CA :: 58.116 CB :: 30.477 CG :: 36.653 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 :: 7.394 HA :: 4.132 HB2 :: 2.126 HB3 :: 2.125 HG2 :: 2.298 HG3 :: 2.299 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 :: 117.378 Ave N Shift Values>> N :: 120.68(3.68) 1.L38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.86 R 0.1 A 0.01 C Shift Assignments>> CA :: 57.632 CB :: 41.101 CG :: 26.293 CD1 :: 22.786 CD2 :: 26.544 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 :: 7.911 HA :: 3.953 HB2 :: 1.421 HB3 :: 1.923 HG :: 1.416 HD11 :: 0.761 HD12 :: 0.761 HD13 :: 0.761 HD21 :: 0.844 HD22 :: 0.844 HD23 :: 0.844 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 :: 121.203 Ave N Shift Values>> N :: 121.98(4.07) 1.K39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.63 R 0.31 M 0.02 G 0.01 C Shift Assignments>> CA :: 59.604 CB :: 31.667 CG :: 24.765 CD :: 29.096 CE :: 41.926 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 :: 7.904 HA :: 3.849 HB2 :: 1.676 HB3 :: 1.846 HG2 :: 1.352 HG3 :: 1.351 HD2 :: 1.575 HD3 :: 1.573 HE2 :: 2.879 HE3 :: 2.879 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 :: 119.564 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.D40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.21 D 0.19 Y 0.19 L 0.16 K 0.11 N 0.05 I 0.03 R 0.01 C Shift Assignments>> CA :: 56.300 CB :: 40.501 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 :: 7.955 HA :: 4.467 HB2 :: 2.704 HB3 :: 2.630 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 :: 117.651 Ave N Shift Values>> N :: 120.73(4.2) 1.S41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 60.501 CB :: 63.354 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.860 HA :: 4.383 HB2 :: 3.751 HB3 :: 3.885 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 :: 114.318 Ave N Shift Values>> N :: 116.3(3.95) 1.I42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> CA :: 63.821 CB :: 36.983 CG1 :: 28.446 CG2 :: 17.796 CD1 :: 12.030 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 :: 3.741 HB :: 2.062 HG12 :: 1.624 HG13 :: 1.506 HG21 :: 0.932 HG22 :: 0.932 HG23 :: 0.932 HD11 :: 0.814 HD12 :: 0.814 HD13 :: 0.814 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 :: 121.257 Ave N Shift Values>> N :: 121.6(4.72) 1.E43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.45 I 0.37 K 0.11 Q 0.03 M 0.01 HN Overlap>> 1.Y49 1.Y49 C Shift Assignments>> CA :: 59.561 CB :: 28.917 CG :: 36.361 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 :: 8.169 HA :: 3.916 HB2 :: 2.057 HB3 :: 1.964 HG2 :: 2.353 HG3 :: 2.200 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 :: 118.307 Ave N Shift Values>> N :: 120.68(3.68) 1.E44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.47 K 0.2 Q 0.13 I 0.12 M 0.05 C Shift Assignments>> CA :: 57.880 CB :: 29.256 CG :: 35.812 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 :: 7.556 HA :: 4.057 HB2 :: 1.959 HB3 :: 1.959 HG2 :: 2.230 HG3 :: 2.230 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 :: 115.411 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 0.82 R 0.13 G 0.03 HN Overlap>> 1.R119 1.R119 C Shift Assignments>> CA :: 56.848 CB :: 42.382 CG :: 26.871 CD1 :: 25.330 CD2 :: 23.754 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 :: 7.582 HA :: 4.064 HB2 :: 1.784 HB3 :: 1.432 HG :: 1.683 HD11 :: 0.768 HD12 :: 0.768 HD13 :: 0.768 HD21 :: 0.711 HD22 :: 0.711 HD23 :: 0.711 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 :: 117.783 Ave N Shift Values>> N :: 121.98(4.07) 1.V46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> CA :: 62.311 CB :: 31.615 CG1 :: 20.837 CG2 :: 19.310 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 :: 7.464 HA :: 4.061 HB :: 2.251 HG11 :: 0.865 HG12 :: 0.865 HG13 :: 0.865 HG21 :: 0.891 HG22 :: 0.891 HG23 :: 0.891 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 :: 109.526 Ave N Shift Values>> N :: 121.02(4.96) 1.K47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.66 R 0.26 M 0.06 HN Overlap>> 1.A76 1.A76 C Shift Assignments>> CA :: 56.785 CB :: 32.914 CG :: 24.950 CD :: 29.413 CE :: 41.780 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 :: 7.218 HA :: 4.125 HB2 :: 1.784 HB3 :: 1.728 HG2 :: 1.387 HG3 :: 1.570 HD2 :: 1.610 HD3 :: 1.610 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 :: 120.871 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.K48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.63 R 0.28 M 0.07 HN Overlap>> 1.W63 1.F113 1.W63 1.F113 C Shift Assignments>> CA :: 57.126 CB :: 32.432 CG :: 24.280 CD :: 29.168 CE :: 41.780 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 :: 8.028 HA :: 4.071 HB2 :: 1.608 HB3 :: 1.518 HG2 :: 1.250 HG3 :: 1.141 HD2 :: 1.578 HD3 :: 1.578 HE2 :: 2.895 HE3 :: 2.895 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 :: 120.820 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.Y49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.96 H 0.03 HN Overlap>> 1.E43 1.E43 C Shift Assignments>> CA :: 54.834 CB :: 37.096 CD1 :: 132.864 CD2 :: 133.236 CE1 :: 117.746 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 :: 8.062 HA :: 4.480 HB2 :: 2.988 HB3 :: 2.988 HD1 :: 7.038 HD2 :: 7.038 HE1 :: 6.778 HE2 :: 6.778 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 :: 118.337 Ave N Shift Values>> N :: 120.79(4.69) 1.N50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.27 F 0.19 Y 0.13 L 0.12 K 0.1 I 0.08 N 0.06 R 0.01 HN Overlap>> 1.T31 1.T31 C Shift Assignments>> CB :: 40.867 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 :: 8.680 HA :: 4.801 HB2 :: 3.049 HB3 :: 2.605 HD21 :: 7.154 HD22 :: 7.639 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 :: 121.774 ND2 :: 113.782 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.A51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> A 0.77 M 0.21 C Shift Assignments>> CA :: 52.143 CB :: 18.010 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> HA :: 4.376 HB1 :: 1.271 HB2 :: 1.271 HB3 :: 1.271 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) 1.T52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> CA :: 62.002 CB :: 70.683 CG2 :: 21.728 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 :: 7.997 HA :: 4.703 HB :: 3.842 HG21 :: 0.868 HG22 :: 0.868 HG23 :: 0.868 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 :: 117.050 Ave N Shift Values>> N :: 115.7(5.05) 1.I53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> CA :: 61.046 CB :: 39.304 CG1 :: 28.231 CG2 :: 16.615 CD1 :: 12.167 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 :: 8.862 HA :: 4.292 HB :: 1.560 HG12 :: 1.268 HG13 :: 0.820 HG21 :: 0.628 HG22 :: 0.628 HG23 :: 0.628 HD11 :: 0.028 HD12 :: 0.028 HD13 :: 0.028 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 :: 127.491 Ave N Shift Values>> N :: 121.6(4.72) 1.V54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> CA :: 61.279 CB :: 32.658 CG1 :: 21.021 CG2 :: 22.170 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 :: 7.715 HA :: 4.569 HB :: 1.891 HG11 :: 0.731 HG12 :: 0.731 HG13 :: 0.731 HG21 :: 0.815 HG22 :: 0.815 HG23 :: 0.815 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 :: 128.279 Ave N Shift Values>> N :: 121.02(4.96) 1.V55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> CA :: 60.187 CB :: 32.754 CG1 :: 20.892 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 :: 8.852 HA :: 4.583 HB :: 1.830 HG11 :: 0.537 HG12 :: 0.537 HG13 :: 0.537 HG21 :: 0.612 HG22 :: 0.612 HG23 :: 0.612 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 :: 128.742 Ave N Shift Values>> N :: 121.02(4.96) 1.V56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> CA :: 60.563 CB :: 31.830 CG1 :: 20.515 CG2 :: 20.416 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 :: 9.554 HA :: 4.396 HB :: 1.801 HG11 :: 0.295 HG12 :: 0.295 HG13 :: 0.295 HG21 :: 0.494 HG22 :: 0.494 HG23 :: 0.494 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 :: 128.688 Ave N Shift Values>> N :: 121.02(4.96) 1.V57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> CA :: 62.241 CB :: 32.356 CG1 :: 20.881 CG2 :: 21.618 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 :: 8.378 HA :: 4.145 HB :: 1.901 HG11 :: 0.876 HG12 :: 0.876 HG13 :: 0.876 HG21 :: 0.744 HG22 :: 0.744 HG23 :: 0.744 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 :: 129.186 Ave N Shift Values>> N :: 121.02(4.96) 1.V58 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> V 0.95 I 0.02 A 0.01 C Shift Assignments>> CA :: 59.532 CB :: 34.266 CG1 :: 21.601 CG2 :: 18.907 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 :: 8.351 HA :: 4.399 HB :: 1.404 HG11 :: 0.021 HG12 :: 0.021 HG13 :: 0.021 HG21 :: -0.402(S) HG22 :: -0.402(S) HG23 :: -0.402(S) 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 :: 122.951 Ave N Shift Values>> N :: 121.02(4.96) 1.D59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 L 0.25 K 0.13 N 0.09 R 0.07 F 0.06 Y 0.04 HN Overlap>> 1.K28 1.K28 C Shift Assignments>> CA :: 53.379 CB :: 41.790 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 :: 8.553 HA :: 4.650 HB2 :: 2.612 HB3 :: 2.554 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 :: 120.003 Ave N Shift Values>> N :: 120.73(4.2) 1.D60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.33 G 0.24 R 0.19 D 0.13 K 0.02 F 0.02 Y 0.01 N 0.01 HN Overlap>> 1.R100 1.R100 C Shift Assignments>> CA :: 52.981 CB :: 43.755 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 :: 7.343 HA :: 4.699 HB2 :: 2.781 HB3 :: 2.809 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 :: 116.668 Ave N Shift Values>> N :: 120.73(4.2) 1.K61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.69 R 0.24 M 0.04 G 0.01 C Shift Assignments>> CA :: 59.057 CB :: 32.347 CG :: 24.725 CD :: 29.413 CE :: 41.879 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 :: 8.849 HA :: 3.753 HB2 :: 1.811 HB3 :: 1.811 HG2 :: 1.412 HG3 :: 1.330 HD2 :: 1.621 HD3 :: 1.622 HE2 :: 2.930 HE3 :: 2.930 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 :: 122.468 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.E62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.43 I 0.38 K 0.11 Q 0.04 M 0.01 C Shift Assignments>> CA :: 59.545 CB :: 28.645 CG :: 36.300 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 :: 4.098 HB2 :: 2.111 HB3 :: 2.024 HG2 :: 2.208 HG3 :: 2.290 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 :: 120.846 Ave N Shift Values>> N :: 120.68(3.68) 1.W63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.9 H 0.09 HN Overlap>> 1.K48 1.K48 C Shift Assignments>> CA :: 58.246 CB :: 29.511 CD1 :: 128.116 CE3 :: 123.194 CZ2 :: 113.043 CZ3 :: 119.366 CH2 :: 123.194 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 :: 8.023 HA :: 4.786 HB2 :: 3.230 HB3 :: 3.450 HD1 :: 7.314 HE1 :: 9.619 HE3 :: 7.541 HZ2 :: 6.816 HZ3 :: 6.659 HH2 :: 6.602 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 :: 120.931 NE1 :: 127.460 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.A64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.53 A 0.39 I 0.02 V 0.02 L 0.01 C Shift Assignments>> CA :: 55.305 CB :: 19.185 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.125 HA :: 3.203 HB1 :: 0.917 HB2 :: 0.917 HB3 :: 0.917 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.223 Ave N Shift Values>> N :: 123.23(3.7) 1.E65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.45 I 0.4 K 0.08 Q 0.02 M 0.02 C Shift Assignments>> CA :: 59.788 CB :: 29.226 CG :: 36.526 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 :: 8.234 HA :: 3.915 HB2 :: 2.232 HB3 :: 2.122 HG2 :: 2.443 HG3 :: 2.230 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 :: 115.793 Ave N Shift Values>> N :: 120.68(3.68) 1.K66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.67 R 0.29 M 0.02 C Shift Assignments>> CA :: 59.605 CB :: 32.361 CG :: 25.726 CD :: 29.352 CE :: 41.698 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 :: 7.811 HA :: 3.844 HB2 :: 2.056 HB3 :: 1.945 HG2 :: 1.680 HG3 :: 1.434 HD2 :: 1.668 HD3 :: 1.669 HE2 :: 2.911 HE3 :: 2.907 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 :: 119.946 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.A67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.65 A 0.3 I 0.03 HN Overlap>> 1.D86 1.D86 C Shift Assignments>> CA :: 54.652 CB :: 16.696 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.320 HA :: 3.737 HB1 :: 0.610 HB2 :: 0.610 HB3 :: 0.610 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.186 Ave N Shift Values>> N :: 123.23(3.7) 1.I68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> CA :: 62.389 CB :: 35.910 CG1 :: 27.463 CG2 :: 17.773 CD1 :: 10.253 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 :: 7.681 HA :: 3.507 HB :: 2.029 HG12 :: 1.366 HG13 :: 1.542 HG21 :: 0.673 HG22 :: 0.673 HG23 :: 0.673 HD11 :: 0.462 HD12 :: 0.462 HD13 :: 0.462 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 :: 116.231 Ave N Shift Values>> N :: 121.6(4.72) 1.R69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.73 K 0.14 G 0.1 L 0.01 HN Overlap>> 1.R98 1.R98 C Shift Assignments>> CA :: 59.676 CB :: 29.817 CG :: 27.828 CD :: 43.125 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 :: 3.884 HB2 :: 1.858 HB3 :: 1.805 HG2 :: 1.551 HG3 :: 1.551 HD2 :: 3.176 HD3 :: 3.178 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 :: 120.001 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.F70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.99 C Shift Assignments>> CA :: 60.975 CB :: 38.444 CD1 :: 131.525 CD2 :: 131.330 CE1 :: 130.787 CE2 :: 130.793 CZ :: 129.688 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 :: 8.121 HA :: 4.268 HB2 :: 3.181 HB3 :: 3.252 HD1 :: 7.092 HD2 :: 7.092 HE1 :: 7.154 HE2 :: 7.154 HZ :: 7.221 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 :: 120.165 Ave N Shift Values>> N :: 120.69(4.18) 1.V71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> CA :: 66.399 CB :: 31.217 CG1 :: 22.353 CG2 :: 22.011 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 :: 8.154 HA :: 3.399 HB :: 2.162 HG11 :: 0.855 HG12 :: 0.855 HG13 :: 0.855 HG21 :: 0.958 HG22 :: 0.958 HG23 :: 0.958 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 :: 118.732 Ave N Shift Values>> N :: 121.02(4.96) 1.K72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.56 R 0.38 M 0.03 C Shift Assignments>> CA :: 57.792 CB :: 31.674 CG :: 24.444 CD :: 28.438 CE :: 41.780 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 :: 8.284 HA :: 4.237 HB2 :: 1.898 HB3 :: 2.136 HG2 :: 1.488 HG3 :: 1.489 HD2 :: 1.683 HD3 :: 1.684 HE2 :: 2.849 HE3 :: 2.849 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 :: 119.499 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.S73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 60.686 CB :: 62.843 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.955 HA :: 4.205 HB2 :: 3.913 HB3 :: 3.913 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 :: 115.903 Ave N Shift Values>> N :: 116.3(3.95) 1.L74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.83 A 0.08 R 0.05 G 0.02 C Shift Assignments>> CA :: 55.345 CB :: 42.198 CG :: 25.860 CD1 :: 25.864 CD2 :: 22.478 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 :: 7.270 HA :: 4.105 HB2 :: 1.439 HB3 :: 1.667 HG :: 1.510 HD11 :: 0.670 HD12 :: 0.670 HD13 :: 0.670 HD21 :: 0.613 HD22 :: 0.613 HD23 :: 0.613 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 :: 120.055 Ave N Shift Values>> N :: 121.98(4.07) 1.G75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.09 R 0.03 C Shift Assignments>> CA :: 45.435 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.769 HA2 :: 3.778 HA3 :: 3.934 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.068 Ave N Shift Values>> N :: 109.91(4.29) 1.A76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.85 M 0.12 HN Overlap>> 1.K47 1.K47 C Shift Assignments>> CA :: 51.356 CB :: 19.668 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.157 HA :: 4.275 HB1 :: 1.180 HB2 :: 1.180 HB3 :: 1.180 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.930 Ave N Shift Values>> N :: 123.23(3.7) 1.Q77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.37 K 0.34 R 0.15 E 0.07 M 0.04 C Shift Assignments>> CA :: 55.268 CB :: 27.982 CG :: 33.495 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 :: 8.564 HA :: 4.461 HB2 :: 2.045 HB3 :: 1.975 HG2 :: 2.318 HG3 :: 2.255 HE21 :: 7.525 HE22 :: 6.698 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 :: 122.204 NE2 :: 111.738 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.V78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.95 A 0.02 I 0.02 C Shift Assignments>> CA :: 59.123 CB :: 34.928 CG1 :: 21.920 CG2 :: 20.055 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 :: 7.588 HA :: 4.776 HB :: 1.825 HG11 :: 0.653 HG12 :: 0.653 HG13 :: 0.653 HG21 :: 0.620 HG22 :: 0.620 HG23 :: 0.620 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 :: 119.727 Ave N Shift Values>> N :: 121.02(4.96) 1.L79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.72 G 0.24 R 0.01 C Shift Assignments>> CA :: 54.151 CB :: 43.674 CG :: 25.281 CD1 :: 24.882 CD2 :: 25.400 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 :: 8.462 HA :: 4.562 HB2 :: 1.552 HB3 :: 1.498 HG :: 1.513 HD11 :: 0.737 HD12 :: 0.737 HD13 :: 0.737 HD21 :: 0.710 HD22 :: 0.710 HD23 :: 0.710 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 :: 127.541 Ave N Shift Values>> N :: 121.98(4.07) 1.I80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.97 A 0.02 C Shift Assignments>> CA :: 58.539 CB :: 38.476 CG1 :: 26.988 CG2 :: 16.952 CD1 :: 11.165 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 :: 8.202 HA :: 5.030 HB :: 1.768 HG12 :: 0.907 HG13 :: 0.882 HG21 :: 0.582 HG22 :: 0.582 HG23 :: 0.582 HD11 :: 0.047 HD12 :: 0.047 HD13 :: 0.047 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 :: 123.998 Ave N Shift Values>> N :: 121.6(4.72) 1.I81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.98 A 0.01 C Shift Assignments>> CA :: 58.868 CB :: 39.300 CG1 :: 27.292 CG2 :: 16.962 CD1 :: 13.261 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 :: 8.714 HA :: 5.015 HB :: 1.608 HG12 :: 1.461 HG13 :: 0.723 HG21 :: 0.738 HG22 :: 0.738 HG23 :: 0.738 HD11 :: 0.605 HD12 :: 0.605 HD13 :: 0.605 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 :: 127.049 Ave N Shift Values>> N :: 121.6(4.72) 1.I82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> CA :: 60.019 CB :: 40.792 CG1 :: 27.863 CG2 :: 18.882 CD1 :: 14.810 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 :: 8.723 HA :: 5.031 HB :: 1.575 HG12 :: 1.672 HG13 :: 0.812 HG21 :: 1.025 HG22 :: 1.025 HG23 :: 1.025 HD11 :: 0.717 HD12 :: 0.717 HD13 :: 0.717 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 :: 125.816 Ave N Shift Values>> N :: 121.6(4.72) 1.Y83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> CA :: 55.240 CB :: 41.007 CD1 :: 132.893 CD2 :: 133.066 CE1 :: 116.862 CE2 :: 116.962 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 :: 8.960 HA :: 5.541 HB2 :: 2.526 HB3 :: 2.593 HD1 :: 6.788 HD2 :: 6.788 HE1 :: 6.483 HE2 :: 6.483 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 :: 126.448 Ave N Shift Values>> N :: 120.79(4.69) 1.D84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.34 G 0.25 R 0.21 D 0.1 F 0.02 K 0.02 Y 0.01 C Shift Assignments>> CA :: 53.517 CB :: 43.935 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 :: 7.086 HA :: 4.031 HB2 :: 2.337 HB3 :: 2.290 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 :: 126.097 Ave N Shift Values>> N :: 120.73(4.2) 1.Q85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.3 E 0.28 K 0.25 M 0.11 R 0.02 I 0.01 C Shift Assignments>> CA :: 56.305 CB :: 29.569 CG :: 34.727 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 :: 8.197 HA :: 4.172 HB2 :: 2.147 HB3 :: 1.923 HG2 :: 2.313 HG3 :: 2.357 HE21 :: 7.469 HE22 :: 6.907 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 :: 121.421 NE2 :: 111.784 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.D86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.37 N 0.34 L 0.12 F 0.06 Y 0.05 K 0.03 HN Overlap>> 1.V104 1.A67 1.V104 1.A67 C Shift Assignments>> CA :: 52.528 CB :: 40.354 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 :: 8.277 HA :: 4.454 HB2 :: 3.095 HB3 :: 2.270 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 :: 122.226 Ave N Shift Values>> N :: 120.73(4.2) 1.Q87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.33 Q 0.33 E 0.13 R 0.11 I 0.03 M 0.03 C Shift Assignments>> CA :: 58.742 CB :: 28.280 CG :: 33.752 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 :: 8.244 HA :: 3.764 HB2 :: 2.023 HB3 :: 1.988 HG2 :: 2.288 HG3 :: 2.401 HE21 :: 7.520 HE22 :: 6.648 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 :: 124.426 NE2 :: 111.738 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.N88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.28 F 0.19 N 0.16 E 0.13 D 0.09 I 0.05 M 0.02 L 0.02 C Shift Assignments>> CA :: 56.030 CB :: 38.050 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 :: 8.049 HA :: 4.404 HB2 :: 2.725 HB3 :: 2.791 HD21 :: 6.854 HD22 :: 7.726 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 :: 117.924 ND2 :: 113.555 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.R89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.45 G 0.28 K 0.21 L 0.03 C Shift Assignments>> CA :: 59.403 CB :: 30.087 CG :: 24.674 CD :: 43.704 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 :: 7.782 HA :: 3.837 HB2 :: 1.858 HB3 :: 1.317 HG2 :: 1.299 HG3 :: 1.297 HD2 :: 2.895 HD3 :: 2.895 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 :: 124.372 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.L90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.81 R 0.14 G 0.02 A 0.01 HN Overlap>> 1.R98 1.R98 C Shift Assignments>> CA :: 56.868 CB :: 42.188 CG :: 26.360 CD1 :: 23.180 CD2 :: 26.177 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 :: 8.169 HA :: 4.324 HB2 :: 1.725 HB3 :: 1.423 HG :: 1.414 HD11 :: 0.863 HD12 :: 0.863 HD13 :: 0.863 HD21 :: 0.863 HD22 :: 0.863 HD23 :: 0.863 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 :: 119.861 Ave N Shift Values>> N :: 121.98(4.07) 1.E91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.43 I 0.24 K 0.17 Q 0.1 M 0.02 HN Overlap>> 1.I21 1.I21 C Shift Assignments>> CA :: 59.582 CB :: 29.104 CG :: 35.642 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 :: 7.821 HA :: 3.837 HB2 :: 2.044 HB3 :: 2.115 HG2 :: 2.243 HG3 :: 2.286 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 :: 120.370 Ave N Shift Values>> N :: 120.68(3.68) 1.E92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.48 I 0.15 K 0.15 Q 0.11 M 0.07 C Shift Assignments>> CA :: 59.018 CB :: 29.811 CG :: 35.642 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 :: 7.439 HA :: 3.954 HB2 :: 2.056 HB3 :: 2.081 HG2 :: 2.339 HG3 :: 2.339 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 :: 118.361 Ave N Shift Values>> N :: 120.68(3.68) 1.F93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.99 C Shift Assignments>> CA :: 60.592 CB :: 39.179 CD1 :: 131.691 CD2 :: 131.835 CE1 :: 130.238 CE2 :: 130.400 CZ :: 129.238 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 :: 9.261 HA :: 4.399 HB2 :: 3.027 HB3 :: 2.953 HD1 :: 7.238 HD2 :: 7.238 HE1 :: 7.011 HE2 :: 7.011 HZ :: 6.785 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 :: 120.486 Ave N Shift Values>> N :: 120.69(4.18) 1.S94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 62.317 CB :: 62.252 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.681 HA :: 3.537 HB2 :: 3.598 HB3 :: 3.735 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 :: 113.062 Ave N Shift Values>> N :: 116.3(3.95) 1.R95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.74 G 0.14 K 0.09 L 0.01 C Shift Assignments>> CA :: 59.596 CB :: 29.775 CG :: 27.475 CD :: 43.339 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 :: 7.381 HA :: 3.935 HB2 :: 1.927 HB3 :: 1.881 HG2 :: 1.516 HG3 :: 1.773 HD2 :: 3.175 HD3 :: 3.174 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 :: 122.022 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.E96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 K 0.24 Q 0.18 I 0.14 R 0.02 M 0.01 C Shift Assignments>> CA :: 58.480 CB :: 28.438 CG :: 35.382 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 :: 7.457 HA :: 4.033 HB2 :: 2.104 HB3 :: 1.952 HG2 :: 2.221 HG3 :: 2.350 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 :: 120.055 Ave N Shift Values>> N :: 120.68(3.68) 1.V97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.E123 1.E123 C Shift Assignments>> CA :: 66.738 CB :: 31.021 CG1 :: 23.652 CG2 :: 23.148 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 :: 7.987 HA :: 3.333 HB :: 1.712 HG11 :: 0.597 HG12 :: 0.597 HG13 :: 0.597 HG21 :: 0.211 HG22 :: 0.211 HG23 :: 0.211 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 :: 119.181 Ave N Shift Values>> N :: 121.02(4.96) 1.R98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.67 K 0.17 G 0.14 HN Overlap>> 1.R69 1.R69 1.L90 1.L90 C Shift Assignments>> CA :: 59.411 CB :: 29.775 CG :: 28.865 CD :: 43.293 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 :: 8.173 HA :: 4.459 HB2 :: 1.828 HB3 :: 1.829 HG2 :: 1.641 HG3 :: 1.799 HD2 :: 3.178 HD3 :: 3.177 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 :: 119.922 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.R99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.72 G 0.11 K 0.11 L 0.03 C Shift Assignments>> CA :: 58.436 CB :: 29.613 CG :: 27.414 CD :: 43.293 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 :: 7.954 HA :: 4.037 HB2 :: 1.933 HB3 :: 1.933 HG2 :: 1.654 HG3 :: 1.742 HD2 :: 3.138 HD3 :: 3.138 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 :: 120.628 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.R100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.69 K 0.14 G 0.1 L 0.04 HN Overlap>> 1.D60 1.D60 C Shift Assignments>> CA :: 55.776 CB :: 29.805 CG :: 27.546 CD :: 43.293 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 :: 7.432 HA :: 4.212 HB2 :: 1.968 HB3 :: 1.914 HG2 :: 1.751 HG3 :: 1.795 HD2 :: 3.154 HD3 :: 2.975 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 :: 116.613 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.G101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.73 L 0.14 R 0.08 F 0.01 C Shift Assignments>> CA :: 44.966 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.800 HA2 :: 3.560 HA3 :: 3.969 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 105.248 Ave N Shift Values>> N :: 109.91(4.29) 1.F102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.99 C Shift Assignments>> CA :: 56.894 CB :: 40.434 CD1 :: 131.776 CD2 :: 131.874 CE1 :: 130.635 CE2 :: 130.803 CZ :: 128.755 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 :: 6.904 HA :: 4.698 HB2 :: 2.390 HB3 :: 2.867 HD1 :: 7.299 HD2 :: 7.299 HE1 :: 7.108 HE2 :: 7.108 HZ :: 6.955 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 :: 117.433 Ave N Shift Values>> N :: 120.69(4.18) 1.E103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.51 K 0.17 M 0.13 Q 0.12 I 0.05 C Shift Assignments>> CA :: 56.248 CB :: 29.875 CG :: 35.959 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 :: 8.892 HA :: 4.344 HB2 :: 1.956 HB3 :: 1.956 HG2 :: 2.208 HG3 :: 2.207 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 :: 123.453 Ave N Shift Values>> N :: 120.68(3.68) 1.V104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.97 A 0.01 HN Overlap>> 1.D86 1.D86 C Shift Assignments>> CA :: 59.182 CB :: 35.832 CG1 :: 22.022 CG2 :: 21.658 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 :: 8.175 HA :: 5.374 HB :: 1.709 HG11 :: 0.729 HG12 :: 0.729 HG13 :: 0.729 HG21 :: 0.711 HG22 :: 0.711 HG23 :: 0.711 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 :: 122.241 Ave N Shift Values>> N :: 121.02(4.96) 1.R105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.6 K 0.19 G 0.19 HN Overlap>> 1.V7 1.V7 C Shift Assignments>> CA :: 53.094 CB :: 32.200 CG :: 27.305 CD :: 43.339 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 :: 8.834 HA :: 4.840 HB2 :: 1.573 HB3 :: 1.902 HG2 :: 1.559 HG3 :: 1.559 HD2 :: 3.149 HD3 :: 3.150 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 :: 124.973 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.T106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> CA :: 59.121 CB :: 70.320 CG2 :: 22.102 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 :: 8.523 HA :: 5.313 HB :: 4.241 HG21 :: 1.062 HG22 :: 1.062 HG23 :: 1.062 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 :: 112.187 Ave N Shift Values>> N :: 115.7(5.05) 1.V107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.57 I 0.37 A 0.05 C Shift Assignments>> CA :: 59.167 CB :: 36.152 CG1 :: 22.992 CG2 :: 19.443 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 :: 8.873 HA :: 4.972 HB :: 2.270 HG11 :: 0.985 HG12 :: 0.985 HG13 :: 0.985 HG21 :: 0.988 HG22 :: 0.988 HG23 :: 0.988 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 :: 116.067 Ave N Shift Values>> N :: 121.02(4.96) 1.T108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> CA :: 60.916 CB :: 70.395 CG2 :: 21.332 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 :: 9.021 HA :: 4.628 HB :: 4.500 HG21 :: 1.131 HG22 :: 1.131 HG23 :: 1.131 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 :: 108.854 Ave N Shift Values>> N :: 115.7(5.05) 1.S109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 56.294 CB :: 63.945 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.631 HA :: 5.255 HB2 :: 4.252 HB3 :: 4.108 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 :: 113.335 Ave N Shift Values>> N :: 116.3(3.95) 1.P110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> CA :: 65.323 CB :: 31.420 CG :: 27.753 CD :: 50.825 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 :: 4.008 HB2 :: 2.019 HB3 :: 1.917 HG2 :: 2.191 HG3 :: 1.702 HD2 :: 4.052 HD3 :: 3.938 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.D111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.27 Y 0.24 L 0.13 D 0.13 K 0.1 I 0.05 N 0.02 R 0.01 C Shift Assignments>> CA :: 57.211 CB :: 40.386 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 :: 8.123 HA :: 4.376 HB2 :: 2.563 HB3 :: 2.562 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 :: 117.683 Ave N Shift Values>> N :: 120.73(4.2) 1.D112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.23 L 0.22 D 0.15 F 0.14 Y 0.11 R 0.09 N 0.02 I 0.01 HN Overlap>> 1.L120 1.L120 C Shift Assignments>> CA :: 56.227 CB :: 41.558 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 :: 7.884 HA :: 4.509 HB2 :: 2.864 HB3 :: 2.865 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 :: 120.110 Ave N Shift Values>> N :: 120.73(4.2) 1.F113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.99 HN Overlap>> 1.K48 1.K48 C Shift Assignments>> CA :: 61.070 CB :: 38.557 CD1 :: 131.231 CD2 :: 131.330 CE1 :: 130.103 CE2 :: 130.153 CZ :: 128.431 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 :: 8.125 HA :: 4.094 HB2 :: 2.833 HB3 :: 3.060 HD1 :: 6.692 HD2 :: 6.692 HE1 :: 6.914 HE2 :: 6.914 HZ :: 6.724 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 :: 120.875 Ave N Shift Values>> N :: 120.69(4.18) 1.K114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.73 R 0.19 M 0.06 G 0.01 C Shift Assignments>> CA :: 60.156 CB :: 32.192 CG :: 24.270 CD :: 29.791 CE :: 41.780 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 :: 8.292 HA :: 3.380 HB2 :: 1.988 HB3 :: 1.785 HG2 :: 1.301 HG3 :: 1.230 HD2 :: 1.619 HD3 :: 1.618 HE2 :: 2.926 HE3 :: 2.925 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 :: 119.801 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.K115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.68 R 0.26 M 0.04 C Shift Assignments>> CA :: 58.769 CB :: 32.231 CG :: 24.928 CD :: 29.255 CE :: 41.780 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 :: 7.575 HA :: 3.993 HB2 :: 1.840 HB3 :: 1.839 HG2 :: 1.404 HG3 :: 1.520 HD2 :: 1.628 HD3 :: 1.628 HE2 :: 2.924 HE3 :: 2.924 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 :: 116.340 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.S116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 61.912 CB :: 62.990 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.086 HA :: 4.090 HB2 :: 3.842 HB3 :: 3.577 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 :: 115.302 Ave N Shift Values>> N :: 116.3(3.95) 1.L117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.95 R 0.02 A 0.02 C Shift Assignments>> CA :: 57.394 CB :: 40.579 CG :: 26.365 CD1 :: 22.734 CD2 :: 25.508 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 :: 8.351 HA :: 3.700 HB2 :: 1.214 HB3 :: 0.648 HG :: 1.228 HD11 :: 0.458 HD12 :: 0.458 HD13 :: 0.458 HD21 :: 0.445 HD22 :: 0.445 HD23 :: 0.445 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 :: 122.437 Ave N Shift Values>> N :: 121.98(4.07) 1.E118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.44 I 0.42 K 0.08 Q 0.02 M 0.01 C Shift Assignments>> CA :: 59.582 CB :: 28.862 CG :: 36.629 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 :: 7.833 HA :: 3.694 HB2 :: 1.879 HB3 :: 2.019 HG2 :: 2.423 HG3 :: 2.196 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 :: 116.340 Ave N Shift Values>> N :: 120.68(3.68) 1.R119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.73 G 0.12 K 0.1 L 0.02 HN Overlap>> 1.L45 1.L45 C Shift Assignments>> CA :: 58.919 CB :: 29.790 CG :: 27.225 CD :: 43.339 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 :: 7.499 HA :: 3.972 HB2 :: 1.869 HB3 :: 1.868 HG2 :: 1.675 HG3 :: 1.532 HD2 :: 3.145 HD3 :: 3.145 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 :: 117.824 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.L120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.92 R 0.05 G 0.01 HN Overlap>> 1.I21 1.D112 1.I21 1.D112 C Shift Assignments>> CA :: 57.604 CB :: 41.907 CG :: 26.489 CD1 :: 24.791 CD2 :: 24.357 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 :: 7.788 HA :: 4.056 HB2 :: 1.671 HB3 :: 1.509 HG :: 1.614 HD11 :: 0.689 HD12 :: 0.689 HD13 :: 0.689 HD21 :: 0.706 HD22 :: 0.706 HD23 :: 0.706 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 :: 120.165 Ave N Shift Values>> N :: 121.98(4.07) 1.I121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> CA :: 64.442 CB :: 37.743 CG1 :: 28.584 CG2 :: 17.226 CD1 :: 13.625 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 :: 8.102 HA :: 3.630 HB :: 1.844 HG12 :: 1.550 HG13 :: 1.084 HG21 :: 0.898 HG22 :: 0.898 HG23 :: 0.898 HD11 :: 0.727 HD12 :: 0.727 HD13 :: 0.727 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 :: 116.833 Ave N Shift Values>> N :: 121.6(4.72) 1.R122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.71 K 0.14 G 0.11 L 0.02 C Shift Assignments>> CA :: 58.118 CB :: 29.958 CG :: 27.487 CD :: 43.339 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 :: 7.419 HA :: 4.107 HB2 :: 1.898 HB3 :: 1.898 HG2 :: 1.603 HG3 :: 1.740 HD2 :: 3.156 HD3 :: 3.158 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 :: 118.853 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.E123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.56 I 0.15 K 0.12 M 0.09 Q 0.05 HN Overlap>> 1.V97 1.V97 C Shift Assignments>> CA :: 57.957 CB :: 29.933 CG :: 36.324 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 :: 8.031 HA :: 4.095 HB2 :: 2.131 HB3 :: 2.026 HG2 :: 2.399 HG3 :: 2.158 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 :: 119.153 Ave N Shift Values>> N :: 120.68(3.68) 1.V124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> CA :: 63.825 CB :: 31.868 CG1 :: 21.134 CG2 :: 20.678 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 :: 8.111 HA :: 4.035 HB :: 2.183 HG11 :: 0.920 HG12 :: 0.920 HG13 :: 0.920 HG21 :: 0.948 HG22 :: 0.948 HG23 :: 0.948 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 :: 116.947 Ave N Shift Values>> N :: 121.02(4.96) 1.G125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.89 L 0.07 R 0.01 C Shift Assignments>> CA :: 45.800 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.038 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 :: 109.621 Ave N Shift Values>> N :: 109.91(4.29) 1.S126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 58.531 CB :: 63.423 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.777 HA :: 4.373 HB2 :: 3.887 HB3 :: 3.859 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 :: 114.610 Ave N Shift Values>> N :: 116.3(3.95) 1.L127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.88 R 0.06 A 0.03 G 0.01 C Shift Assignments>> CA :: 55.508 CB :: 41.993 CG :: 26.724 CD1 :: 24.826 CD2 :: 23.105 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 :: 8.011 HA :: 4.215 HB2 :: 1.628 HB3 :: 1.509 HG :: 1.598 HD11 :: 0.819 HD12 :: 0.819 HD13 :: 0.819 HD21 :: 0.766 HD22 :: 0.766 HD23 :: 0.766 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 :: 122.896 Ave N Shift Values>> N :: 121.98(4.07) 1.E128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.48 K 0.17 Q 0.13 M 0.13 I 0.06 C Shift Assignments>> CA :: 56.880 CB :: 29.986 CG :: 35.795 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 :: 8.052 HA :: 4.076 HB2 :: 1.826 HB3 :: 1.826 HG2 :: 2.060 HG3 :: 2.137 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 :: 119.618 Ave N Shift Values>> N :: 120.68(3.68) 1.H129 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H130 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H131 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H132 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H133 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H134 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable ########################################################################### Overall Results: #Consistent: 133 #Clerical: 0 #Suspicious: 1 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 127 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 7 Shift Relative Order (SRO) Results: #Consistent: 134 #Suspicious: 0 C Shift Results: #Consistent: 481 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 972 #Duplicate: 0 #Unknown: 0 #Suspicious: 3 #Anomalous: 0 N Shift Results: #Consistent: 132 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.V58 HG21 = -0.402(S), Expected = 0.83, Std = 0.2900, ChiSquare = 2.1542e-05 1.V58 HG22 = -0.402(S), Expected = 0.83, Std = 0.2900, ChiSquare = 2.1542e-05 1.V58 HG23 = -0.402(S), Expected = 0.83, Std = 0.2900, ChiSquare = 2.1542e-05