Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.27 K 0.24 Q 0.22 M 0.22 R 0.02 C Shift Assignments>> CA :: 54.498 CB :: 32.380 CG :: 30.177 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> HA :: 4.071 HB2 :: 2.097 HB3 :: 2.043 HG2 :: 2.485 HG3 :: 2.398 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) 1.H2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H4 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H5 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> Q 0.17 K 0.15 H 0.14 C 0.11 W 0.11 R 0.1 E 0.09 L 0.04 M 0.03 C Shift Assignments>> C :: 173.608 CA :: 55.044 CB :: 28.791 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) 1.H7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.17 K 0.15 H 0.15 C 0.11 W 0.11 R 0.1 E 0.09 L 0.03 M 0.03 C Shift Assignments>> C :: 174.139 CA :: 54.882 CB :: 28.839 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.708 HA :: 4.652 HB2 :: 3.192 HB3 :: 3.192 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 121.438 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.G8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.57 L 0.21 R 0.09 C 0.04 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> C :: 173.567 CA :: 44.610 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.526 HA2 :: 4.000 HA3 :: 4.000 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.212 Ave N Shift Values>> N :: 109.67(3.87) 1.S9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.S116 1.S116 C Shift Assignments>> C :: 174.794 CA :: 58.018 CB :: 63.579 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.417 HA :: 4.506 HB2 :: 3.900 HB3 :: 3.900 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.858 Ave N Shift Values>> N :: 116.28(3.52) 1.G10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.73 L 0.15 R 0.03 C 0.03 F 0.01 D 0.01 C Shift Assignments>> C :: 173.878 CA :: 44.956 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.560 HA2 :: 4.021 HA3 :: 4.021 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.039 Ave N Shift Values>> N :: 109.67(3.87) 1.S11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.695 CA :: 58.020 CB :: 63.579 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.322 HA :: 4.451 HB2 :: 3.912 HB3 :: 3.880 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.720 Ave N Shift Values>> N :: 116.28(3.52) 1.G12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.68 L 0.17 R 0.05 C 0.03 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> C :: 173.436 CA :: 44.845 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.470 HA2 :: 3.945 HA3 :: 3.945 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.778 Ave N Shift Values>> N :: 109.67(3.87) 1.L13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.69 C 0.24 A 0.04 C Shift Assignments>> C :: 176.691 CA :: 54.662 CB :: 41.990 CG :: 26.688 CD1 :: 24.407 CD2 :: 23.069 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.053 HA :: 4.362 HB2 :: 1.578 HB3 :: 1.578 HG :: 1.577 HD11 :: 0.892 HD12 :: 0.892 HD13 :: 0.892 HD21 :: 0.843 HD22 :: 0.843 HD23 :: 0.843 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 121.601 Ave N Shift Values>> N :: 121.86(3.9) 1.V14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.58 V 0.41 C Shift Assignments>> C :: 173.959 CA :: 59.355 CB :: 32.262 CG1 :: 20.610 CG2 :: 19.960 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.122 HA :: 4.417 HB :: 2.073 HG11 :: 0.959 HG12 :: 0.959 HG13 :: 0.959 HG21 :: 0.926 HG22 :: 0.926 HG23 :: 0.926 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 122.852 Ave N Shift Values>> N :: 121.14(4.54) 1.P15 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 :: 176.478 CA :: 62.698 CB :: 31.676 CG :: 26.969 CD :: 50.657 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.409 HB2 :: 2.299 HB3 :: 1.903 HG2 :: 1.972 HG3 :: 2.047 HD2 :: 3.880 HD3 :: 3.678 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.R16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.49 C 0.36 K 0.09 G 0.04 C Shift Assignments>> C :: 176.592 CA :: 55.880 CB :: 30.473 CG :: 26.654 CD :: 43.020 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.450 HA :: 4.341 HB2 :: 1.867 HB3 :: 1.808 HG2 :: 1.728 HG3 :: 1.674 HD2 :: 3.217 HD3 :: 3.217 HE :: 7.188 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 121.951 NE :: 84.823 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.G17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.75 L 0.14 C 0.03 R 0.03 F 0.01 D 0.01 C Shift Assignments>> C :: 173.518 CA :: 45.018 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.514 HA2 :: 3.960 HA3 :: 3.960 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.662 Ave N Shift Values>> N :: 109.67(3.87) 1.S18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.483 CA :: 57.730 CB :: 63.910 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.194 HA :: 4.576 HB2 :: 3.883 HB3 :: 3.851 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.127 Ave N Shift Values>> N :: 116.28(3.52) 1.G19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.6 L 0.2 R 0.08 C 0.04 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> C :: 173.289 CA :: 44.675 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.654 HA2 :: 3.958 HA3 :: 4.214 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.060 Ave N Shift Values>> N :: 109.67(3.87) 1.I20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.86 C 0.13 C Shift Assignments>> C :: 178.293 CA :: 64.327 CB :: 38.455 CG1 :: 28.006 CG2 :: 17.336 CD1 :: 12.696 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.197 HA :: 3.789 HB :: 1.735 HG12 :: 1.670 HG13 :: 1.276 HG21 :: 0.938 HG22 :: 0.938 HG23 :: 0.938 HD11 :: 0.927 HD12 :: 0.927 HD13 :: 0.927 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 120.910 Ave N Shift Values>> N :: 121.46(4.28) 1.A21 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> M 0.57 A 0.34 I 0.04 C 0.02 C Shift Assignments>> C :: 179.471 CA :: 55.315 CB :: 18.015 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 11.825(A) HA :: 4.093 HB1 :: 1.364 HB2 :: 1.364 HB3 :: 1.364 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 129.633 Ave N Shift Values>> N :: 123.23(3.54) 1.Q22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 E 0.18 K 0.17 Q 0.17 I 0.06 M 0.01 R 0.01 C Shift Assignments>> C :: 178.784 CA :: 59.579 CB :: 29.257 CG :: 34.782 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 9.436 HA :: 3.903 HB2 :: 2.152 HB3 :: 2.029 HG2 :: 2.836 HG3 :: 2.283 HE21 :: 7.499 HE22 :: 7.073 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 120.236 NE2 :: 113.116 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Q23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 Q 0.23 K 0.21 E 0.11 R 0.04 I 0.04 HN Overlap>> 1.L76 1.L76 C Shift Assignments>> C :: 178.195 CA :: 58.678 CB :: 28.298 CG :: 34.369 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.630 HA :: 3.997 HB2 :: 2.154 HB3 :: 2.154 HG2 :: 2.589 HG3 :: 2.341 HE21 :: 7.286 HE22 :: 6.787 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 117.928 NE2 :: 111.603 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.W24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.62 C 0.37 C Shift Assignments>> C :: 178.620 CA :: 62.169 CB :: 28.689 CD1 :: 126.693 CE3 :: 120.104 CZ2 :: 114.844 CZ3 :: 120.960 CH2 :: 124.080 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 8.240 HA :: 4.098 HB2 :: 3.325 HB3 :: 3.585 HD1 :: 7.282 HE1 :: 10.532 HE3 :: 7.367 HZ2 :: 6.872 HZ3 :: 6.770 HH2 :: 6.840 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 123.502 NE1 :: 129.134 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.I25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.86 C 0.13 C Shift Assignments>> C :: 177.394 CA :: 65.069 CB :: 37.268 CG1 :: 29.281 CG2 :: 17.456 CD1 :: 13.608 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.766 HA :: 3.348 HB :: 2.147 HG12 :: 2.235 HG13 :: 1.150 HG21 :: 0.928 HG22 :: 0.928 HG23 :: 0.928 HD11 :: 1.076 HD12 :: 1.076 HD13 :: 1.076 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 119.437 Ave N Shift Values>> N :: 121.46(4.28) 1.Q26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 R 0.21 Q 0.2 K 0.14 M 0.01 I 0.01 C Shift Assignments>> C :: 178.686 CA :: 58.371 CB :: 27.144 CG :: 33.090 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.004 HA :: 3.912 HB2 :: 2.191 HB3 :: 2.084 HG2 :: 2.556 HG3 :: 2.529 HE21 :: 7.494 HE22 :: 6.819 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 115.684 NE2 :: 110.984 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.S27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.744 CA :: 60.349 CB :: 62.993 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.000 HA :: 4.235 HB2 :: 3.931 HB3 :: 3.931 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 114.217 Ave N Shift Values>> N :: 116.28(3.52) 1.K28 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.44 R 0.27 A 0.17 K 0.1 C Shift Assignments>> C :: 175.628 CA :: 54.065 CB :: 30.918 CG :: 22.337 CD :: 27.815 CE :: 41.499 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.291 HA :: 4.586 HB2 :: 1.397 HB3 :: 0.959 HG2 :: 0.542 HG3 :: 0.542 HD2 :: 0.869(S) HD3 :: 0.517(S) HE2 :: 1.951(S) HE3 :: 2.341 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 119.868 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.R29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 R 0.34 K 0.06 G 0.05 C Shift Assignments>> C :: 176.887 CA :: 61.075 CB :: 31.546 CG :: 27.208 CD :: 42.936 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 6.843 HA :: 3.589 HB2 :: 2.032 HB3 :: 1.748 HG2 :: 1.413 HG3 :: 1.497 HD2 :: 3.294 HD3 :: 3.169 HE :: 7.540 HH21 :: 6.977 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 122.094 NE :: 84.083 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.E30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 E 0.22 Q 0.13 K 0.11 I 0.11 R 0.02 C Shift Assignments>> C :: 178.719 CA :: 58.389 CB :: 27.771 CG :: 35.437 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.454 HA :: 3.936 HB2 :: 1.854 HB3 :: 2.052 HG2 :: 2.420 HG3 :: 2.318 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 114.266 Ave N Shift Values>> N :: 120.67(3.48) 1.A31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.56 A 0.4 I 0.02 C 0.01 C Shift Assignments>> C :: 179.062 CA :: 54.413 CB :: 17.303 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.683 HA :: 4.176 HB1 :: 1.261 HB2 :: 1.261 HB3 :: 1.261 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.356 Ave N Shift Values>> N :: 123.23(3.54) 1.I32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.68 C 0.3 C Shift Assignments>> C :: 177.590 CA :: 66.055 CB :: 37.118 CG1 :: 29.320 CG2 :: 19.725 CD1 :: 15.608 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.274 HA :: 3.408 HB :: 1.900 HG12 :: 0.786 HG13 :: 1.740 HG21 :: 0.934 HG22 :: 0.934 HG23 :: 0.934 HD11 :: 0.796 HD12 :: 0.796 HD13 :: 0.796 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 119.031 Ave N Shift Values>> N :: 121.46(4.28) 1.V33 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.S79 1.S79 C Shift Assignments>> C :: 177.034 CA :: 66.507 CB :: 31.098 CG1 :: 21.907 CG2 :: 22.831 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.117 HA :: 3.497 HB :: 2.140 HG11 :: 0.983 HG12 :: 0.983 HG13 :: 0.983 HG21 :: 0.922 HG22 :: 0.922 HG23 :: 0.922 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 118.940 Ave N Shift Values>> N :: 121.14(4.54) 1.S34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.955 CA :: 61.128 CB :: 63.352 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.775 HA :: 4.269 HB2 :: 4.037 HB3 :: 3.955 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 111.077 Ave N Shift Values>> N :: 116.28(3.52) 1.Q35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 Q 0.25 M 0.25 K 0.09 E 0.09 C Shift Assignments>> C :: 177.950 CA :: 57.186 CB :: 30.944 CG :: 33.871 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.115 HA :: 4.310 HB2 :: 2.123 HB3 :: 1.760 HG2 :: 2.561 HG3 :: 2.276 HE21 :: 7.189 HE22 :: 6.132 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 115.540 NE2 :: 108.621 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.M36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 M 0.41 A 0.01 HN Overlap>> 1.D96 1.D96 C Shift Assignments>> C :: 175.726 CA :: 57.661 CB :: 32.605 CG :: 30.601 CE :: 16.219 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.955 HA :: 4.149 HB2 :: 2.103 HB3 :: 1.928 HG2 :: 2.869 HG3 :: 2.449 HE1 :: 1.901 HE2 :: 1.901 HE3 :: 1.901 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 122.150 Ave N Shift Values>> N :: 120.09(3.57) 1.T37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.88 C 0.11 C Shift Assignments>> C :: 174.892 CA :: 61.281 CB :: 70.707 CG2 :: 21.426 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 9.105 HA :: 4.255 HB :: 4.787 HG1 :: 5.664 HG21 :: 1.455 HG22 :: 1.455 HG23 :: 1.455 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 119.772 Ave N Shift Values>> N :: 115.42(4.75) 1.E38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 E 0.21 I 0.19 K 0.09 Q 0.08 R 0.01 C Shift Assignments>> C :: 177.639 CA :: 59.578 CB :: 28.063 CG :: 35.580 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.159 HA :: 3.829 HB2 :: 2.063 HB3 :: 2.063 HG2 :: 2.328 HG3 :: 2.328 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.167 Ave N Shift Values>> N :: 120.67(3.48) 1.A39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.58 A 0.36 I 0.02 C 0.01 HN Overlap>> 1.S112 1.S112 C Shift Assignments>> C :: 178.898 CA :: 54.806 CB :: 17.536 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.354 HA :: 4.202 HB1 :: 1.394 HB2 :: 1.394 HB3 :: 1.394 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.042 Ave N Shift Values>> N :: 123.23(3.54) 1.C40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.41 P 0.28 C 0.18 R 0.03 W 0.03 K 0.01 C Shift Assignments>> C :: 177.459 CA :: 61.905 CB :: 26.540 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.036 HA :: 3.757 HB2 :: 2.999 HB3 :: 2.704 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 119.235 Ave N Shift Values>> N :: 120.17(4.64) 1.L41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 L 0.45 C Shift Assignments>> C :: 177.590 CA :: 58.520 CB :: 40.494 CG :: 26.930 CD1 :: 26.409 CD2 :: 24.009 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.603 HA :: 4.005 HB2 :: 2.108 HB3 :: 1.451 HG :: 1.565 HD11 :: 0.877 HD12 :: 0.877 HD13 :: 0.877 HD21 :: 0.830 HD22 :: 0.830 HD23 :: 0.830 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 124.763 Ave N Shift Values>> N :: 121.86(3.9) 1.N42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.22 Y 0.19 E 0.18 F 0.13 N 0.09 M 0.05 I 0.04 D 0.02 K 0.01 L 0.01 C Shift Assignments>> C :: 177.786 CA :: 56.314 CB :: 37.400 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.616 HA :: 4.383 HB2 :: 2.882 HB3 :: 2.882 HD21 :: 7.422 HD22 :: 6.934 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 118.844 ND2 :: 111.475 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.Q43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.31 K 0.26 Q 0.25 R 0.07 E 0.03 M 0.02 I 0.01 C Shift Assignments>> C :: 180.174 CA :: 58.544 CB :: 28.556 CG :: 33.531 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.527 HA :: 4.144 HB2 :: 1.966 HB3 :: 2.110 HG2 :: 2.792 HG3 :: 2.480 HE21 :: 7.408 HE22 :: 6.889 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 118.615 NE2 :: 111.019 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.S44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 T 0.01 HN Overlap>> 1.V72 1.V72 C Shift Assignments>> C :: 174.385 CA :: 63.510 CB :: 62.325 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.657 HA :: 3.934 HB2 :: 4.267 HB3 :: 3.389 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 118.425 Ave N Shift Values>> N :: 116.28(3.52) 1.L45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.51 C 0.48 HN Overlap>> 1.L49 1.L49 C Shift Assignments>> C :: 177.917 CA :: 58.168 CB :: 40.900 CG :: 26.246 CD1 :: 23.054 CD2 :: 24.837 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.377 HA :: 3.876 HB2 :: 2.059 HB3 :: 1.501 HG :: 1.816 HD11 :: 0.747 HD12 :: 0.747 HD13 :: 0.747 HD21 :: 0.730 HD22 :: 0.730 HD23 :: 0.730 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 121.514 Ave N Shift Values>> N :: 121.86(3.9) 1.D46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.26 F 0.26 C 0.14 D 0.11 L 0.07 N 0.06 I 0.05 HN Overlap>> 1.V91 1.V91 1.Q92 1.Q92 C Shift Assignments>> C :: 178.326 CA :: 56.818 CB :: 39.365 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.171 HA :: 4.470 HB2 :: 2.754 HB3 :: 2.754 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 117.496 Ave N Shift Values>> N :: 120.65(3.86) 1.A47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.55 M 0.4 C 0.02 I 0.01 C Shift Assignments>> C :: 179.667 CA :: 54.468 CB :: 18.362 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.998 HA :: 4.166 HB1 :: 1.399 HB2 :: 1.399 HB3 :: 1.399 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.457 Ave N Shift Values>> N :: 123.23(3.54) 1.L48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.57 C 0.4 R 0.01 C Shift Assignments>> C :: 179.176 CA :: 57.768 CB :: 41.669 CG :: 25.849 CD1 :: 25.709 CD2 :: 23.037 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.413 HA :: 3.775 HB2 :: 1.878 HB3 :: 0.848 HG :: 1.640 HD11 :: 0.115 HD12 :: 0.115 HD13 :: 0.115 HD21 :: 0.193 HD22 :: 0.193 HD23 :: 0.193 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 118.854 Ave N Shift Values>> N :: 121.86(3.9) 1.L49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.59 C 0.39 HN Overlap>> 1.L45 1.L45 C Shift Assignments>> C :: 180.796 CA :: 57.881 CB :: 41.872 CG :: 26.104 CD1 :: 23.718 CD2 :: 23.688 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.481 HA :: 4.143 HB2 :: 1.686 HB3 :: 1.686 HG :: 1.475 HD11 :: 0.480 HD12 :: 0.480 HD13 :: 0.480 HD21 :: 0.538 HD22 :: 0.538 HD23 :: 0.538 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 121.470 Ave N Shift Values>> N :: 121.86(3.9) 1.S50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.S116 1.S116 C Shift Assignments>> C :: 175.284 CA :: 61.180 CB :: 62.532 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.311 HA :: 4.205 HB2 :: 4.016 HB3 :: 3.998 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 116.026 Ave N Shift Values>> N :: 116.28(3.52) 1.R51 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.88 G 0.1 C Shift Assignments>> C :: 174.385 CA :: 55.051 CB :: 30.498 CG :: 27.224 CD :: 42.941 CZ :: 172.079(S) Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.260 HA :: 4.382 HB2 :: 1.456 HB3 :: 2.180 HG2 :: 1.645 HG3 :: 1.820 HD2 :: 3.063 HD3 :: 3.063 HE :: 7.322 HH21 :: 6.747 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 117.875 NE :: 84.130 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.D52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.29 C 0.2 E 0.15 Y 0.1 M 0.08 F 0.07 D 0.03 K 0.01 I 0.01 C Shift Assignments>> C :: 174.548 CA :: 54.441 CB :: 37.006 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.154 HA :: 4.545 HB2 :: 3.227 HB3 :: 2.801 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 116.389 Ave N Shift Values>> N :: 120.65(3.86) 1.L53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.35 G 0.32 C 0.2 A 0.07 R 0.03 C Shift Assignments>> C :: 175.300 CA :: 54.522 CB :: 44.455 CG :: 26.214 CD1 :: 26.549 CD2 :: 22.521 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.341 HA :: 4.500 HB2 :: 1.594 HB3 :: 1.594 HG :: 1.585 HD11 :: 0.780 HD12 :: 0.780 HD13 :: 0.780 HD21 :: 0.921 HD22 :: 0.921 HD23 :: 0.921 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 114.400 Ave N Shift Values>> N :: 121.86(3.9) 1.I54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.78 I 0.17 G 0.01 A 0.01 C Shift Assignments>> C :: 172.488 CA :: 57.469 CB :: 42.208 CG1 :: 28.643 CG2 :: 15.750 CD1 :: 14.000 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.170 HA :: 5.007 HB :: 1.657 HG12 :: 1.716 HG13 :: 2.074 HG21 :: 0.819 HG22 :: 0.819 HG23 :: 0.819 HD11 :: 0.930 HD12 :: 0.930 HD13 :: 0.930 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 114.582 Ave N Shift Values>> N :: 121.46(4.28) 1.M55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.48 A 0.26 C 0.24 C Shift Assignments>> C :: 177.884 CA :: 54.277 CB :: 33.282 CG :: 32.297 CE :: 17.220 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 9.450 HA :: 4.618 HB2 :: 2.157 HB3 :: 2.346 HG2 :: 2.642 HG3 :: 2.796 HE1 :: 2.095 HE2 :: 2.095 HE3 :: 2.095 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 126.154 Ave N Shift Values>> N :: 120.09(3.57) 1.K56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 K 0.41 R 0.07 C Shift Assignments>> C :: 177.999 CA :: 59.929 CB :: 31.567 CG :: 24.268 CD :: 28.711 CE :: 41.540 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 9.054 HA :: 3.912 HB2 :: 1.929 HB3 :: 1.846 HG2 :: 1.467 HG3 :: 1.467 HD2 :: 1.679 HD3 :: 1.679 HE2 :: 2.957 HE3 :: 2.957 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 124.744 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 Q 0.16 K 0.14 E 0.13 I 0.11 R 0.03 C Shift Assignments>> C :: 178.506 CA :: 59.506 CB :: 27.910 CG :: 34.838 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.316 HA :: 4.125 HB2 :: 2.056 HB3 :: 1.977 HG2 :: 2.450 HG3 :: 2.370 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 116.759 Ave N Shift Values>> N :: 120.67(3.48) 1.D58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.24 Y 0.22 D 0.15 L 0.13 C 0.11 N 0.04 K 0.04 I 0.03 C Shift Assignments>> C :: 177.427 CA :: 56.773 CB :: 40.278 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.051 HA :: 4.741 HB2 :: 2.800 HB3 :: 2.622 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 118.546 Ave N Shift Values>> N :: 120.65(3.86) 1.Y59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.6 C 0.38 HN Overlap>> 1.K123 1.K123 C Shift Assignments>> C :: 177.950 CA :: 61.724 CB :: 38.105 CD1 :: 132.187 CE1 :: 118.414 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.341 HA :: 3.960 HB2 :: 2.799 HB3 :: 3.494 HD1 :: 6.923 HD2 :: 6.923 HE1 :: 6.804 HE2 :: 6.804 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 121.792 Ave N Shift Values>> N :: 120.52(4.2) 1.E60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 Q 0.25 K 0.21 R 0.1 E 0.04 I 0.02 M 0.01 C Shift Assignments>> C :: 177.868 CA :: 58.515 CB :: 27.848 CG :: 33.723 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.775 HA :: 4.009 HB2 :: 2.159 HB3 :: 2.159 HG2 :: 2.531 HG3 :: 2.626 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.981 Ave N Shift Values>> N :: 120.67(3.48) 1.L61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.58 C 0.4 C Shift Assignments>> C :: 178.751 CA :: 57.632 CB :: 41.961 CG :: 26.964 CD1 :: 23.684 CD2 :: 24.157 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.855 HA :: 4.016 HB2 :: 1.919 HB3 :: 1.739 HG :: 1.583 HD11 :: 0.924 HD12 :: 0.924 HD13 :: 0.924 HD21 :: 0.897 HD22 :: 0.897 HD23 :: 0.897 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 121.414 Ave N Shift Values>> N :: 121.86(3.9) 1.I62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.82 C 0.17 C Shift Assignments>> C :: 176.789 CA :: 65.394 CB :: 38.651 CG1 :: 29.738 CG2 :: 18.006 CD1 :: 15.244 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.833 HA :: 3.423 HB :: 1.697 HG12 :: 0.656 HG13 :: 2.007 HG21 :: 0.929 HG22 :: 0.929 HG23 :: 0.929 HD11 :: 0.948 HD12 :: 0.948 HD13 :: 0.948 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 116.821 Ave N Shift Values>> N :: 121.46(4.28) 1.S63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.875 CA :: 61.298 CB :: 62.920 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.005 HA :: 3.861 HB2 :: 3.818 HB3 :: 3.570 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 110.863 Ave N Shift Values>> N :: 116.28(3.52) 1.T64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.9 C 0.09 C Shift Assignments>> C :: 175.529 CA :: 61.392 CB :: 69.521 CG2 :: 20.910 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.468 HA :: 4.358 HB :: 4.472 HG21 :: 1.297 HG22 :: 1.297 HG23 :: 1.297 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 107.160 Ave N Shift Values>> N :: 115.42(4.75) 1.K65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.37 C 0.33 K 0.19 A 0.07 G 0.01 C Shift Assignments>> C :: 176.658 CA :: 53.057 CB :: 30.553 CG :: 23.351 CD :: 27.712 CE :: 41.902 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.307 HA :: 4.518 HB2 :: 2.157 HB3 :: 1.607 HG2 :: 2.125 HG3 :: 1.384 HD2 :: 1.601 HD3 :: 1.843 HE2 :: 2.804 HE3 :: 3.033 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 123.090 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.P66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.86 C 0.13 C Shift Assignments>> C :: 176.674 CA :: 65.003 CB :: 32.354 CG :: 27.180 CD :: 50.191 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.442 HB2 :: 2.117 HB3 :: 2.367 HG2 :: 2.039 HG3 :: 2.192 HD2 :: 3.641 HD3 :: 3.876 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.T67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 T 0.42 A 0.06 C Shift Assignments>> C :: 173.681 CA :: 57.890 CB :: 72.287 CG2 :: 21.394 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 6.838 HA :: 4.775 HB :: 4.584 HG1 :: 4.810 HG21 :: 1.230 HG22 :: 1.230 HG23 :: 1.230 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 105.374 Ave N Shift Values>> N :: 115.42(4.75) 1.R68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 K 0.41 R 0.07 L 0.02 C Shift Assignments>> C :: 177.754 CA :: 60.227 CB :: 29.416 CG :: 25.211 CD :: 41.955 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 9.015 HA :: 3.817 HB2 :: 2.082 HB3 :: 1.895 HG2 :: 1.705 HG3 :: 1.344 HD2 :: 3.085 HD3 :: 3.879 HE :: 7.433 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 123.583 NE :: 81.307 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.T69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.96 C 0.03 C Shift Assignments>> C :: 175.775 CA :: 65.666 CB :: 68.167 CG2 :: 21.798 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.137 HA :: 3.776 HB :: 3.999 HG21 :: 1.263 HG22 :: 1.263 HG23 :: 1.263 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 109.224 Ave N Shift Values>> N :: 115.42(4.75) 1.A70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.66 M 0.27 C 0.03 I 0.01 L 0.01 C Shift Assignments>> C :: 180.877 CA :: 54.488 CB :: 19.149 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.634 HA :: 4.171 HB1 :: 1.492 HB2 :: 1.492 HB3 :: 1.492 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.266 Ave N Shift Values>> N :: 123.23(3.54) 1.K71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.59 K 0.26 R 0.12 G 0.01 C Shift Assignments>> C :: 177.868 CA :: 60.317 CB :: 34.499 CG :: 25.069 CD :: 30.509 CE :: 42.274 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.291 HA :: 3.981 HB2 :: 2.091 HB3 :: 1.650 HG2 :: 1.950 HG3 :: 1.633 HD2 :: 1.574 HD3 :: 1.409 HE2 :: 2.868 HE3 :: 2.868 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.246 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.78 C 0.21 HN Overlap>> 1.S44 1.S44 C Shift Assignments>> C :: 177.884 CA :: 66.518 CB :: 31.440 CG1 :: 23.754 CG2 :: 22.887 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.598 HA :: 3.449 HB :: 2.199 HG11 :: 1.066 HG12 :: 1.066 HG13 :: 1.066 HG21 :: 1.227 HG22 :: 1.227 HG23 :: 1.227 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 118.334 Ave N Shift Values>> N :: 121.14(4.54) 1.R73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 R 0.33 K 0.07 G 0.02 C Shift Assignments>> C :: 177.606 CA :: 60.422 CB :: 29.297 CG :: 27.860 CD :: 42.520 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.648 HA :: 3.662 HB2 :: 1.831 HB3 :: 1.885 HG2 :: 1.716 HG3 :: 1.598 HD2 :: 3.317 HD3 :: 3.108 HE :: 7.366 HH21 :: 7.102 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 118.701 NE :: 83.008 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.Q74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 Q 0.26 R 0.17 K 0.14 E 0.02 I 0.01 M 0.01 C Shift Assignments>> C :: 178.408 CA :: 57.603 CB :: 27.122 CG :: 33.592 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.776 HA :: 4.021 HB2 :: 2.100 HB3 :: 2.338 HG2 :: 2.283 HG3 :: 2.017 HE21 :: 7.695 HE22 :: 7.230 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 117.289 NE2 :: 115.976 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.5 C 0.48 C Shift Assignments>> C :: 177.950 CA :: 58.576 CB :: 40.890 CG :: 26.802 CD1 :: 25.844 CD2 :: 23.124 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.658 HA :: 4.113 HB2 :: 1.462 HB3 :: 2.486 HG :: 1.617 HD11 :: 0.888 HD12 :: 0.888 HD13 :: 0.888 HD21 :: 0.937 HD22 :: 0.937 HD23 :: 0.937 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 124.294 Ave N Shift Values>> N :: 121.86(3.9) 1.L76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.78 A 0.13 L 0.08 HN Overlap>> 1.Q23 1.Q23 C Shift Assignments>> C :: 179.602 CA :: 57.105 CB :: 39.101 CG :: 25.649 CD1 :: 26.668 CD2 :: 20.407 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.526 HA :: 4.090 HB2 :: 1.924 HB3 :: 1.359 HG :: 2.155 HD11 :: 0.849 HD12 :: 0.849 HD13 :: 0.849 HD21 :: 0.855 HD22 :: 0.855 HD23 :: 0.855 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 117.938 Ave N Shift Values>> N :: 121.86(3.9) 1.D77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.27 F 0.24 C 0.17 D 0.07 N 0.07 I 0.06 L 0.04 E 0.03 M 0.01 C Shift Assignments>> C :: 178.490 CA :: 56.824 CB :: 38.678 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.724 HA :: 4.396 HB2 :: 2.749 HB3 :: 2.749 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 122.507 Ave N Shift Values>> N :: 120.65(3.86) 1.T78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.95 C 0.04 C Shift Assignments>> C :: 175.529 CA :: 66.379 CB :: 67.781 CG2 :: 21.993 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.170 HA :: 3.872 HB :: 4.401 HG21 :: 1.091 HG22 :: 1.091 HG23 :: 1.091 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 117.893 Ave N Shift Values>> N :: 115.42(4.75) 1.S79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.V33 1.V33 C Shift Assignments>> C :: 177.018 CA :: 61.395 CB :: 62.864 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.106 HA :: 3.320 HB2 :: 4.248 HB3 :: 3.870 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 118.865 Ave N Shift Values>> N :: 116.28(3.52) 1.D80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.24 Y 0.23 D 0.15 C 0.12 L 0.11 N 0.06 I 0.04 K 0.01 C Shift Assignments>> C :: 176.772 CA :: 56.589 CB :: 39.849 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.490 HA :: 4.399 HB2 :: 2.929 HB3 :: 2.680 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 119.706 Ave N Shift Values>> N :: 120.65(3.86) 1.I81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.69 C 0.3 C Shift Assignments>> C :: 176.723 CA :: 61.435 CB :: 38.319 CG1 :: 27.199 CG2 :: 17.295 CD1 :: 12.444 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.010 HA :: 4.118 HB :: 1.977 HG12 :: 1.502 HG13 :: 1.219 HG21 :: 0.864 HG22 :: 0.864 HG23 :: 0.864 HD11 :: 0.820 HD12 :: 0.820 HD13 :: 0.820 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 114.777 Ave N Shift Values>> N :: 121.46(4.28) 1.Q82 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.29 Q 0.28 C 0.22 M 0.1 R 0.05 E 0.01 HN Overlap>> 1.V108 1.V108 C Shift Assignments>> C :: 176.969 CA :: 55.431 CB :: 29.308 CG :: 33.000 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.762 HA :: 4.245 HB2 :: 0.974(S) HB3 :: 2.176 HG2 :: 2.193 HG3 :: 1.902 HE21 :: 7.378 HE22 :: 7.004 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 117.865 NE2 :: 113.263 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.G83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.59 L 0.2 R 0.08 C 0.04 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> C :: 173.943 CA :: 44.658 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.990 HA2 :: 4.499 HA3 :: 4.044 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.886 Ave N Shift Values>> N :: 109.67(3.87) 1.E84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 K 0.28 Q 0.25 M 0.06 R 0.06 E 0.02 C Shift Assignments>> C :: 177.623 CA :: 57.896 CB :: 29.129 CG :: 33.104 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.374 HA :: 4.567 HB2 :: 2.224 HB3 :: 1.776 HG2 :: 2.613 HG3 :: 2.167 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.484 Ave N Shift Values>> N :: 120.67(3.48) 1.E85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 E 0.19 I 0.15 K 0.11 Q 0.11 R 0.01 C Shift Assignments>> C :: 177.508 CA :: 59.521 CB :: 28.038 CG :: 35.301 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.731 HA :: 4.005 HB2 :: 2.139 HB3 :: 2.045 HG2 :: 2.420 HG3 :: 2.420 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.064 Ave N Shift Values>> N :: 120.67(3.48) 1.F86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.6 C 0.26 F 0.12 HN Overlap>> 1.K95 1.K95 C Shift Assignments>> C :: 176.478 CA :: 59.270 CB :: 39.939 CD1 :: 132.646 CE1 :: 130.248 CZ :: 132.718 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 7.729 HA :: 3.895 HB2 :: 2.909 HB3 :: 3.679 HD1 :: 7.209 HD2 :: 7.209 HE1 :: 7.168 HE2 :: 7.168 HZ :: 7.110 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 120.212 Ave N Shift Values>> N :: 120.45(4.18) 1.A87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.5 M 0.42 C 0.03 I 0.02 C Shift Assignments>> C :: 178.898 CA :: 54.916 CB :: 18.593 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.931 HA :: 4.017 HB1 :: 1.450 HB2 :: 1.450 HB3 :: 1.450 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.282 Ave N Shift Values>> N :: 123.23(3.54) 1.R88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.63 R 0.19 G 0.09 K 0.07 C Shift Assignments>> C :: 178.146 CA :: 60.102 CB :: 29.677 CG :: 29.315 CD :: 43.280 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.865 HA :: 3.572 HB2 :: 1.978 HB3 :: 1.805 HG2 :: 1.974 HG3 :: 1.469 HD2 :: 3.166 HD3 :: 3.100 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 116.947 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.V89 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 :: 176.985 CA :: 66.134 CB :: 31.112 CG1 :: 21.895 CG2 :: 22.841 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.446 HA :: 3.524 HB :: 2.103 HG11 :: 0.719 HG12 :: 0.719 HG13 :: 0.719 HG21 :: 0.929 HG22 :: 0.929 HG23 :: 0.929 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 119.133 Ave N Shift Values>> N :: 121.14(4.54) 1.I90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.86 C 0.13 C Shift Assignments>> C :: 177.050 CA :: 64.843 CB :: 37.691 CG1 :: 28.442 CG2 :: 16.257 CD1 :: 13.927 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 6.956 HA :: 3.509 HB :: 2.155 HG12 :: 1.845 HG13 :: 0.825 HG21 :: 0.845 HG22 :: 0.845 HG23 :: 0.845 HD11 :: 1.007 HD12 :: 1.007 HD13 :: 1.007 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 117.890 Ave N Shift Values>> N :: 121.46(4.28) 1.V91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.85 C 0.14 HN Overlap>> 1.D46 1.Q92 1.D46 1.Q92 C Shift Assignments>> C :: 176.560 CA :: 67.128 CB :: 31.010 CG1 :: 21.250 CG2 :: 23.877 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.155 HA :: 3.427 HB :: 1.843 HG11 :: 0.346 HG12 :: 0.346 HG13 :: 0.346 HG21 :: 1.107 HG22 :: 1.107 HG23 :: 1.107 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 117.465 Ave N Shift Values>> N :: 121.14(4.54) 1.Q92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.32 K 0.24 Q 0.23 R 0.14 M 0.02 E 0.01 HN Overlap>> 1.V91 1.D46 1.V91 1.D46 C Shift Assignments>> C :: 177.737 CA :: 58.224 CB :: 28.008 CG :: 33.133 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.142 HA :: 3.653 HB2 :: 2.142 HB3 :: 2.069 HG2 :: 2.331 HG3 :: 2.250 HE21 :: 7.810 HE22 :: 6.722 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 117.437 NE2 :: 114.665 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.K93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 R 0.28 L 0.08 K 0.05 C Shift Assignments>> C :: 180.043 CA :: 56.889 CB :: 29.563 CG :: 23.335 CD :: 26.699 CE :: 41.523 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.170 HA :: 4.085 HB2 :: 2.150 HB3 :: 1.626 HG2 :: 1.222 HG3 :: 1.715 HD2 :: 1.672 HD3 :: 1.502 HE2 :: 2.734 HE3 :: 2.734 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 116.790 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 L 0.4 R 0.05 C Shift Assignments>> C :: 177.770 CA :: 58.809 CB :: 41.585 CG :: 26.277 CD1 :: 26.894 CD2 :: 23.683 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.415 HA :: 4.167 HB2 :: 2.366 HB3 :: 2.109 HG :: 1.850 HD11 :: 1.147 HD12 :: 1.147 HD13 :: 1.147 HD21 :: 1.076 HD22 :: 1.076 HD23 :: 1.076 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 124.515 Ave N Shift Values>> N :: 121.86(3.9) 1.K95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 K 0.43 R 0.06 HN Overlap>> 1.F86 1.F86 C Shift Assignments>> C :: 181.139 CA :: 59.333 CB :: 31.471 CG :: 24.226 CD :: 29.035 CE :: 41.494 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.717 HA :: 3.209 HB2 :: 1.548 HB3 :: 0.996 HG2 :: 0.676 HG3 :: 0.770 HD2 :: 1.162 HD3 :: 1.162 HE2 :: 2.680 HE3 :: 2.680 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.318 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.24 Y 0.22 D 0.16 L 0.12 C 0.11 N 0.06 I 0.03 K 0.01 HN Overlap>> 1.M36 1.M36 C Shift Assignments>> C :: 177.247 CA :: 56.479 CB :: 39.937 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 9.055 HA :: 4.309 HB2 :: 2.744 HB3 :: 2.701 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 122.120 Ave N Shift Values>> N :: 120.65(3.86) 1.N97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.41 D 0.17 C 0.1 Y 0.1 F 0.1 L 0.05 C Shift Assignments>> C :: 172.504 CA :: 53.997 CB :: 38.777 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.726 HA :: 4.598 HB2 :: 2.842 HB3 :: 2.918 HD21 :: 7.855 HD22 :: 7.495 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 116.611 ND2 :: 113.127 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.K98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 K 0.24 R 0.21 L 0.04 C Shift Assignments>> C :: 176.511 CA :: 56.623 CB :: 28.711 CG :: 24.609 CD :: 28.841 CE :: 41.928 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.254 HA :: 3.850 HB2 :: 2.049 HB3 :: 1.931 HG2 :: 1.373 HG3 :: 1.373 HD2 :: 1.733 HD3 :: 1.672 HE2 :: 3.015 HE3 :: 3.015 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 116.507 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Q99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 K 0.44 Q 0.05 R 0.02 C Shift Assignments>> C :: 178.359 CA :: 55.960 CB :: 24.883 CG :: 34.665 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.534 HA :: 4.600 HB2 :: 2.236 HB3 :: 2.133 HG2 :: 2.569 HG3 :: 2.284 HE21 :: 7.508 HE22 :: 7.005 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 117.946 NE2 :: 111.257 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.M100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 M 0.46 A 0.05 C Shift Assignments>> C :: 178.113 CA :: 56.410 CB :: 30.465 CG :: 31.852 CE :: 16.494 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.509 HA :: 4.511 HB2 :: 2.230 HB3 :: 2.174 HG2 :: 2.847 HG3 :: 2.567 HE1 :: 2.114 HE2 :: 2.114 HE3 :: 2.114 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 124.168 Ave N Shift Values>> N :: 120.09(3.57) 1.G101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.06 C 0.03 C Shift Assignments>> C :: 174.695 CA :: 46.056 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.817 HA2 :: 4.109 HA3 :: 4.109 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.102 Ave N Shift Values>> N :: 109.67(3.87) 1.L102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 L 0.32 R 0.21 A 0.06 G 0.01 C Shift Assignments>> C :: 174.875 CA :: 53.140 CB :: 41.777 CG :: 26.297 CD1 :: 28.450 CD2 :: 23.632 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 6.918 HA :: 4.319 HB2 :: 1.737 HB3 :: 1.790 HG :: 1.550 HD11 :: 1.063 HD12 :: 1.063 HD13 :: 1.063 HD21 :: 0.499 HD22 :: 0.499 HD23 :: 0.499 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 117.705 Ave N Shift Values>> N :: 121.86(3.9) 1.Q103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.31 C 0.3 R 0.19 K 0.15 M 0.01 E 0.01 C Shift Assignments>> C :: 173.240 CA :: 54.920 CB :: 27.189 CG :: 33.561 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.160 HA :: 3.823 HB2 :: 2.299 HB3 :: 2.128 HG2 :: 2.568 HG3 :: 2.568 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 117.237 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.P104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.97 P 0.01 A 0.01 C Shift Assignments>> C :: 175.660 CA :: 61.402 CB :: 34.287 CG :: 24.147 CD :: 50.505 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.742 HB2 :: 2.471 HB3 :: 2.152 HG2 :: 2.010 HG3 :: 1.965 HD2 :: 3.561 HD3 :: 3.528 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.Y105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.55 C 0.43 C Shift Assignments>> C :: 173.174 CA :: 57.300 CB :: 37.546 CD1 :: 131.911 CE1 :: 117.867 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.817 HA :: 4.129 HB2 :: 2.550 HB3 :: 2.550 HD1 :: 6.690 HD2 :: 6.690 HE1 :: 6.682 HE2 :: 6.682 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 122.219 Ave N Shift Values>> N :: 120.52(4.2) 1.P106 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> C 0.75 P 0.15 G 0.09 C Shift Assignments>> C :: 176.020 CA :: 62.137 CB :: 30.808 CG :: 26.671 CD :: 47.854 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.475 HB2 :: 1.581 HB3 :: 2.084 HG2 :: 1.477 HG3 :: 1.412 HD2 :: 2.711 HD3 :: 1.706(S) Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.E107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.28 C 0.25 K 0.24 E 0.12 R 0.04 M 0.01 I 0.01 C Shift Assignments>> C :: 175.938 CA :: 56.505 CB :: 28.539 CG :: 34.432 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.647 HA :: 4.165 HB2 :: 2.050 HB3 :: 1.946 HG2 :: 2.353 HG3 :: 2.315 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 123.427 Ave N Shift Values>> N :: 120.67(3.48) 1.V108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.55 C 0.44 HN Overlap>> 1.Q82 1.Q82 C Shift Assignments>> C :: 174.810 CA :: 61.460 CB :: 32.300 CG1 :: 20.770 CG2 :: 19.544 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.838 HA :: 4.117 HB :: 2.058 HG11 :: 0.840 HG12 :: 0.840 HG13 :: 0.840 HG21 :: 0.830 HG22 :: 0.830 HG23 :: 0.830 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 117.874 Ave N Shift Values>> N :: 121.14(4.54) 1.L109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.7 C 0.21 A 0.05 C Shift Assignments>> C :: 176.249 CA :: 54.321 CB :: 41.977 CG :: 26.547 CD1 :: 24.643 CD2 :: 23.031 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.930 HA :: 4.349 HB2 :: 1.590 HB3 :: 1.541 HG :: 1.515 HD11 :: 0.827 HD12 :: 0.827 HD13 :: 0.827 HD21 :: 0.790 HD22 :: 0.790 HD23 :: 0.790 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 123.085 Ave N Shift Values>> N :: 121.86(3.9) 1.L110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.7 C 0.23 A 0.04 C Shift Assignments>> C :: 176.445 CA :: 54.554 CB :: 41.923 CG :: 26.538 CD1 :: 24.633 CD2 :: 23.044 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.060 HA :: 4.348 HB2 :: 1.593 HB3 :: 1.525 HG :: 1.544 HD11 :: 0.834 HD12 :: 0.834 HD13 :: 0.834 HD21 :: 0.767 HD22 :: 0.767 HD23 :: 0.767 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.677 Ave N Shift Values>> N :: 121.86(3.9) 1.V111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.58 C 0.41 C Shift Assignments>> C :: 175.448 CA :: 61.500 CB :: 32.600 CG1 :: 20.689 CG2 :: 20.004 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.956 HA :: 4.134 HB :: 2.040 HG11 :: 0.898 HG12 :: 0.898 HG13 :: 0.898 HG21 :: 0.893 HG22 :: 0.893 HG23 :: 0.893 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 120.421 Ave N Shift Values>> N :: 121.14(4.54) 1.S112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.A39 1.A39 C Shift Assignments>> C :: 173.534 CA :: 57.710 CB :: 63.469 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.377 HA :: 4.448 HB2 :: 3.828 HB3 :: 3.828 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 119.937 Ave N Shift Values>> N :: 116.28(3.52) 1.R113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.5 C 0.34 K 0.1 G 0.03 C Shift Assignments>> C :: 175.709 CA :: 55.502 CB :: 30.521 CG :: 26.660 CD :: 42.911 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.402 HA :: 4.412 HB2 :: 1.864 HB3 :: 1.743 HG2 :: 1.628 HG3 :: 1.594 HD2 :: 3.182 HD3 :: 3.182 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 123.320 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.T114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.81 C 0.18 C Shift Assignments>> C :: 172.504 CA :: 59.450 CB :: 69.219 CG2 :: 21.105 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.267 HA :: 4.577 HB :: 4.159 HG21 :: 1.239 HG22 :: 1.239 HG23 :: 1.239 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 118.114 Ave N Shift Values>> N :: 115.42(4.75) 1.P115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.73 C 0.26 C Shift Assignments>> C :: 176.576 CA :: 62.998 CB :: 31.693 CG :: 26.991 CD :: 50.681 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.440 HB2 :: 2.323 HB3 :: 1.946 HG2 :: 2.053 HG3 :: 1.971 HD2 :: 3.865 HD3 :: 3.720 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.S116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.S9 1.S50 1.S9 1.S50 C Shift Assignments>> C :: 174.254 CA :: 57.958 CB :: 63.392 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.387 HA :: 4.440 HB2 :: 3.915 HB3 :: 3.857 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.958 Ave N Shift Values>> N :: 116.28(3.52) 1.S117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.829 CA :: 57.988 CB :: 63.402 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.300 HA :: 4.442 HB2 :: 3.900 HB3 :: 3.848 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 117.324 Ave N Shift Values>> N :: 116.28(3.52) 1.N118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.58 D 0.12 C 0.1 Y 0.06 F 0.06 L 0.02 M 0.01 E 0.01 C Shift Assignments>> C :: 174.826 CA :: 52.930 CB :: 38.299 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.422 HA :: 4.710 HB2 :: 2.823 HB3 :: 2.754 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 120.845 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.V119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.64 C 0.35 C Shift Assignments>> C :: 175.807 CA :: 62.240 CB :: 32.118 CG1 :: 20.697 CG2 :: 19.994 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.991 HA :: 4.081 HB :: 2.090 HG11 :: 0.920 HG12 :: 0.920 HG13 :: 0.920 HG21 :: 0.928 HG22 :: 0.928 HG23 :: 0.928 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 119.968 Ave N Shift Values>> N :: 121.14(4.54) 1.L120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.69 C 0.25 A 0.04 C Shift Assignments>> C :: 176.854 CA :: 54.844 CB :: 41.686 CG :: 26.568 CD1 :: 24.477 CD2 :: 23.002 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.217 HA :: 4.331 HB2 :: 1.655 HB3 :: 1.567 HG :: 1.607 HD11 :: 0.920 HD12 :: 0.920 HD13 :: 0.920 HD21 :: 0.862 HD22 :: 0.862 HD23 :: 0.862 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 124.920 Ave N Shift Values>> N :: 121.86(3.9) 1.Q121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.3 K 0.29 C 0.22 M 0.07 R 0.06 E 0.02 C Shift Assignments>> C :: 175.170 CA :: 55.436 CB :: 28.995 CG :: 33.345 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.247 HA :: 4.304 HB2 :: 2.083 HB3 :: 1.964 HG2 :: 2.345 HG3 :: 2.345 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 120.699 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.N122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.58 D 0.13 C 0.1 Y 0.06 F 0.06 L 0.03 M 0.01 E 0.01 C Shift Assignments>> C :: 174.532 CA :: 52.879 CB :: 38.417 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.358 HA :: 4.673 HB2 :: 2.816 HB3 :: 2.751 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 119.796 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.K123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.48 C 0.38 R 0.12 HN Overlap>> 1.Y59 1.Y59 C Shift Assignments>> C :: 176.004 CA :: 55.929 CB :: 32.745 CG :: 24.214 CD :: 28.649 CE :: 41.746 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.257 HA :: 4.390 HB2 :: 1.858 HB3 :: 1.756 HG2 :: 1.431 HG3 :: 1.403 HD2 :: 1.676 HD3 :: 1.676 HE2 :: 2.989 HE3 :: 2.989 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 121.738 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.T124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.9 C 0.09 C Shift Assignments>> C :: 173.289 CA :: 61.522 CB :: 69.454 CG2 :: 21.208 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.205 HA :: 4.319 HB :: 4.211 HG21 :: 1.202 HG22 :: 1.202 HG23 :: 1.202 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 116.268 Ave N Shift Values>> N :: 115.42(4.75) 1.L125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.61 C 0.3 R 0.03 G 0.02 A 0.01 C Shift Assignments>> C :: 181.123 CA :: 55.899 CB :: 42.671 CG :: 26.779 CD1 :: 24.702 CD2 :: 23.207 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.982 HA :: 4.227 HB2 :: 1.594 HB3 :: 1.594 HG :: 1.600 HD11 :: 0.903 HD12 :: 0.903 HD13 :: 0.903 HD21 :: 0.856 HD22 :: 0.856 HD23 :: 0.856 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 129.323 Ave N Shift Values>> N :: 121.86(3.9) ########################################################################### Overall Results: #Consistent: 120 #Clerical: 0 #Suspicious: 4 #Anomalous: 1 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 121 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 4 Shift Relative Order (SRO) Results: #Consistent: 125 #Suspicious: 0 C Shift Results: #Consistent: 529 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 H Shift Results: #Consistent: 875 #Duplicate: 0 #Unknown: 0 #Suspicious: 5 #Anomalous: 1 N Shift Results: #Consistent: 131 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.A21 H = 11.825(A), Expected = 8.20, Std = 0.6000, ChiSquare = 1.5253e-09 1.K28 HD2 = 0.869(S), Expected = 1.61, Std = 0.2200, ChiSquare = 7.5666e-04 1.K28 HD3 = 0.517(S), Expected = 1.60, Std = 0.2200, ChiSquare = 8.5346e-07 1.K28 HE2 = 1.951(S), Expected = 2.92, Std = 0.1900, ChiSquare = 3.3965e-07 1.R51 CZ = 172.079(S), Expected = 159.97, Std = 2.9500, ChiSquare = 4.0476e-05 1.Q82 HB2 = 0.974(S), Expected = 2.05, Std = 0.2500, ChiSquare = 1.6774e-05 1.P106 HD3 = 1.706(S), Expected = 3.61, Std = 0.3900, ChiSquare = 1.0499e-06