Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G4 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S5 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 174.977 CA :: 58.582 CB :: 63.802 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> HA :: 4.419 HB2 :: 3.844 HB3 :: 3.844 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) 1.G7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.76 L 0.09 C 0.08 R 0.03 C Shift Assignments>> C :: 173.597 CA :: 45.257 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.352 HA2 :: 3.882 HA3 :: 3.882 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.681 Ave N Shift Values>> N :: 109.91(4.29) 1.H8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.35 W 0.34 C 0.3 C Shift Assignments>> C :: 174.756 CA :: 55.898 CB :: 31.280 CD2 :: 120.087 CE1 :: 137.088 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 8.064 HA :: 4.730 HB2 :: 2.867 HB3 :: 3.182 HD2 :: 7.192 HE1 :: 8.339 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 117.343 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.E9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.39 C 0.39 M 0.1 I 0.05 K 0.03 Q 0.01 C Shift Assignments>> C :: 174.853 CA :: 56.370 CB :: 30.620 CG :: 36.921 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 :: 8.633 HA :: 4.097 HB2 :: 1.851 HB3 :: 1.851 HG2 :: 2.167 HG3 :: 2.167 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 121.049 Ave N Shift Values>> N :: 120.68(3.68) 1.D10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.25 L 0.24 K 0.14 C 0.1 R 0.08 N 0.06 F 0.05 Y 0.04 HN Overlap>> 1.R52 1.R52 C Shift Assignments>> C :: 174.350 CA :: 53.805 CB :: 41.969 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 :: 8.058 HA :: 4.369 HB2 :: 2.118 HB3 :: 2.068 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 :: 117.573 Ave N Shift Values>> N :: 120.73(4.2) 1.F11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.44 Y 0.29 C 0.25 C Shift Assignments>> C :: 172.703 CA :: 54.851 CB :: 41.419 CD1 :: 132.169 CD2 :: 132.169 CE1 :: 130.968 CE2 :: 130.968 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 :: 7.087 HA :: 4.300 HB2 :: 2.467 HB3 :: 2.410 HD1 :: 6.948 HD2 :: 6.948 HE1 :: 7.240 HE2 :: 7.240 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 :: 114.192 Ave N Shift Values>> N :: 120.69(4.18) 1.C12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.16 W 0.14 R 0.12 E 0.11 K 0.09 H 0.08 M 0.08 V 0.07 Q 0.05 I 0.03 C Shift Assignments>> C :: 177.509 CA :: 58.841 CB :: 31.381 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.242 HA :: 3.817 HB2 :: 3.336 HB3 :: 2.197 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 122.595 Ave N Shift Values>> N :: 119.95(4.79) 1.S13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.92 T 0.07 C Shift Assignments>> C :: 174.221 CA :: 62.371 CB :: 64.650 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.885 HA :: 4.085 HB2 :: 3.694 HB3 :: 3.491 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 :: 125.797 Ave N Shift Values>> N :: 116.3(3.95) 1.V14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.92 C 0.07 C Shift Assignments>> C :: 176.975 CA :: 65.299 CB :: 33.106 CG1 :: 21.590 CG2 :: 20.463 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 :: 9.143 HA :: 4.055 HB :: 2.283 HG11 :: 1.240 HG12 :: 1.240 HG13 :: 1.240 HG21 :: 1.074 HG22 :: 1.074 HG23 :: 1.074 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 :: 123.107 Ave N Shift Values>> N :: 121.02(4.96) 1.C15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.17 W 0.14 R 0.12 E 0.1 K 0.1 V 0.09 M 0.09 H 0.08 Q 0.04 I 0.02 C Shift Assignments>> C :: 175.634 CA :: 59.020 CB :: 31.657 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.059 HA :: 4.879 HB2 :: 2.895 HB3 :: 3.247 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 117.128 Ave N Shift Values>> N :: 119.95(4.79) 1.R16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.37 C 0.26 K 0.26 R 0.06 G 0.01 C Shift Assignments>> C :: 174.759 CA :: 57.378 CB :: 26.207 CG :: 27.187 CD :: 42.468 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 :: 8.000 HA :: 4.070 HB2 :: 2.028 HB3 :: 1.880 HG2 :: 1.487 HG3 :: 1.397 HD2 :: 3.062 HD3 :: 3.062 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 :: 116.395 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 0.37 C 0.37 R 0.22 G 0.01 M 0.01 C Shift Assignments>> C :: 176.906 CA :: 55.527 CB :: 34.825 CG :: 25.386 CD :: 29.000 CE :: 42.222 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 :: 8.276 HA :: 4.943 HB2 :: 2.143 HB3 :: 2.143 HG2 :: 1.570 HG3 :: 1.439 HD2 :: 1.621 HD3 :: 1.621 HE2 :: 2.965 HE3 :: 2.965 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 :: 118.565 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 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 :: 174.796 CA :: 56.896 CB :: 63.998 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.634 HA :: 4.673 HB2 :: 4.006 HB3 :: 3.828 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 :: 115.679 Ave N Shift Values>> N :: 116.3(3.95) 1.G19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.68 L 0.12 C 0.09 R 0.06 F 0.01 C Shift Assignments>> C :: 171.869 CA :: 45.017 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.437 HA2 :: 3.719 HA3 :: 4.521 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.923 Ave N Shift Values>> N :: 109.91(4.29) 1.Q20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.27 C 0.27 K 0.24 R 0.09 E 0.07 M 0.02 C Shift Assignments>> C :: 174.856 CA :: 55.926 CB :: 27.845 CG :: 33.845 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 :: 8.826 HA :: 4.207 HB2 :: 2.041 HB3 :: 1.986 HG2 :: 2.266 HG3 :: 2.175 HE21 :: 7.538 HE22 :: 6.854 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 :: 124.345 NE2 :: 112.437 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.L21 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.41 L 0.34 C 0.21 R 0.01 C Shift Assignments>> C :: 175.595 CA :: 53.638 CB :: 44.357 CG :: 25.433 CD1 :: 25.920 CD2 :: 21.937 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 :: 8.056 HA :: 4.396 HB2 :: 0.857 HB3 :: 1.377 HG :: 1.103 HD11 :: 0.443 HD12 :: 0.443 HD13 :: 0.443 HD21 :: -0.190(S) HD22 :: -0.190(S) HD23 :: -0.190(S) 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 :: 125.928 Ave N Shift Values>> N :: 121.98(4.07) 1.L22 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.55 G 0.2 C 0.2 R 0.03 C Shift Assignments>> C :: 175.088 CA :: 53.789 CB :: 43.895 CG :: 26.756 CD1 :: 23.587 CD2 :: 24.750 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 :: 9.006 HA :: 4.270 HB2 :: 0.863 HB3 :: 1.181 HG :: 0.822 HD11 :: 0.334 HD12 :: 0.334 HD13 :: 0.334 HD21 :: -0.640(S) HD22 :: -0.640(S) HD23 :: -0.640(S) 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 :: 125.743 Ave N Shift Values>> N :: 121.98(4.07) 1.M23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.54 C 0.44 C Shift Assignments>> C :: 174.978 CA :: 54.541 CB :: 34.635 CG :: 31.340 CE :: 17.124 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 8.484 HA :: 4.875 HB2 :: 1.726 HB3 :: 1.726 HG2 :: 2.263 HG3 :: 2.074 HE1 :: 1.922 HE2 :: 1.922 HE3 :: 1.922 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 124.065 Ave N Shift Values>> N :: 120.1(3.88) 1.C24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.19 C 0.17 W 0.13 R 0.08 E 0.08 I 0.07 P 0.06 K 0.05 H 0.05 M 0.04 Q 0.02 C Shift Assignments>> C :: 177.260 CA :: 60.551 CB :: 31.417 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.760 HA :: 4.702 HB2 :: 2.645 HB3 :: 3.510 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 126.240 Ave N Shift Values>> N :: 119.95(4.79) 1.D25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.29 L 0.17 K 0.13 C 0.13 F 0.1 Y 0.07 D 0.03 G 0.03 I 0.01 C Shift Assignments>> C :: 177.120 CA :: 57.990 CB :: 42.958 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 9.298 HA :: 4.781 HB2 :: 2.671 HB3 :: 2.671 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 129.175 Ave N Shift Values>> N :: 120.73(4.2) 1.T26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.95 C 0.04 C Shift Assignments>> C :: 174.760 CA :: 63.476 CB :: 69.466 CG2 :: 22.265 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 :: 9.733 HA :: 4.491 HB :: 4.523 HG21 :: 1.037 HG22 :: 1.037 HG23 :: 1.037 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 115.115 Ave N Shift Values>> N :: 115.7(5.05) 1.C27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.17 W 0.13 R 0.11 K 0.11 E 0.1 M 0.1 V 0.09 H 0.07 Q 0.04 I 0.02 C Shift Assignments>> C :: 174.985 CA :: 58.894 CB :: 31.826 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.346 HA :: 4.897 HB2 :: 2.656 HB3 :: 3.127 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 123.675 Ave N Shift Values>> N :: 119.95(4.79) 1.S28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.794 CA :: 59.943 CB :: 63.356 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.666 HA :: 4.239 HB2 :: 4.091 HB3 :: 3.873 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 111.671 Ave N Shift Values>> N :: 116.3(3.95) 1.R29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 G 0.24 R 0.19 K 0.05 C Shift Assignments>> C :: 175.506 CA :: 58.415 CB :: 31.868 CG :: 29.985 CD :: 44.207 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 :: 9.362 HA :: 4.126 HB2 :: 2.016 HB3 :: 1.573 HG2 :: 2.024 HG3 :: 1.553 HD2 :: 3.220 HD3 :: 3.220 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 :: 124.870 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.V30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.74 V 0.24 I 0.01 C Shift Assignments>> C :: 175.637 CA :: 58.243 CB :: 34.734 CG1 :: 23.175 CG2 :: 20.445 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 :: 8.095 HA :: 5.561 HB :: 1.726 HG11 :: 0.827 HG12 :: 0.827 HG13 :: 0.827 HG21 :: 0.430 HG22 :: 0.430 HG23 :: 0.430 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 :: 110.954 Ave N Shift Values>> N :: 121.02(4.96) 1.Y31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.44 C 0.31 Y 0.24 C Shift Assignments>> C :: 176.870 CA :: 57.187 CB :: 44.289 CD1 :: 133.579 CD2 :: 133.579 CE1 :: 118.626 CE2 :: 118.626 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 :: 8.814 HA :: 5.611 HB2 :: 2.967 HB3 :: 2.409 HD1 :: 7.096 HD2 :: 7.096 HE1 :: 6.780 HE2 :: 6.780 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 :: 118.005 Ave N Shift Values>> N :: 120.79(4.69) 1.H32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 W 0.34 H 0.31 C Shift Assignments>> C :: 177.545 CA :: 58.483 CB :: 31.271 CD2 :: 119.039 CE1 :: 138.669 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 8.352 HA :: 4.844 HB2 :: 3.623 HB3 :: 3.568 HD2 :: 7.341 HE1 :: 7.304 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 121.008 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.L33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 L 0.46 R 0.01 C Shift Assignments>> C :: 178.523 CA :: 58.922 CB :: 40.156 CG :: 27.521 CD1 :: 25.100 CD2 :: 23.744 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 :: 9.096 HA :: 3.755 HB2 :: 1.513 HB3 :: 1.785 HG :: 1.653 HD11 :: 0.608 HD12 :: 0.608 HD13 :: 0.608 HD21 :: 0.509 HD22 :: 0.509 HD23 :: 0.509 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 :: 122.860 Ave N Shift Values>> N :: 121.98(4.07) 1.D34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.28 N 0.22 C 0.13 L 0.11 F 0.1 Y 0.09 K 0.02 C Shift Assignments>> C :: 176.649 CA :: 54.136 CB :: 40.005 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 :: 8.158 HA :: 4.663 HB2 :: 2.721 HB3 :: 2.698 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 :: 109.773 Ave N Shift Values>> N :: 120.73(4.2) 1.C35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.22 C 0.15 W 0.13 V 0.13 P 0.1 E 0.06 R 0.06 H 0.03 K 0.03 Q 0.02 M 0.01 C Shift Assignments>> C :: 174.644 CA :: 61.458 CB :: 29.993 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.548 HA :: 4.407 HB2 :: 2.925 HB3 :: 3.311 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 117.355 Ave N Shift Values>> N :: 119.95(4.79) 1.L36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.41 G 0.23 C 0.23 R 0.1 C Shift Assignments>> C :: 174.516 CA :: 54.544 CB :: 44.142 CG :: 27.011 CD1 :: 26.864 CD2 :: 23.333 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 6.585 HA :: 4.154 HB2 :: 1.403 HB3 :: 1.745 HG :: 1.740 HD11 :: 0.786 HD12 :: 0.786 HD13 :: 0.786 HD21 :: 0.555 HD22 :: 0.555 HD23 :: 0.555 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 :: 120.953 Ave N Shift Values>> N :: 121.98(4.07) 1.D37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.46 L 0.14 C 0.13 D 0.12 R 0.06 N 0.02 K 0.01 F 0.01 C Shift Assignments>> C :: 174.052 CA :: 50.356 CB :: 43.314 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 :: 8.088 HA :: 4.832 HB2 :: 2.737 HB3 :: 2.360 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 118.384 Ave N Shift Values>> N :: 120.73(4.2) 1.P38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.5 P 0.49 C Shift Assignments>> CA :: 62.061 CB :: 32.899 CG :: 25.062 CD :: 50.071 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 :: 5.114 HB2 :: 2.374 HB3 :: 1.991 HG2 :: 1.885 HG3 :: 1.838 HD2 :: 3.564 HD3 :: 3.432 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.P39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.79 C 0.2 C Shift Assignments>> C :: 177.544 CA :: 63.055 CB :: 32.378 CG :: 27.512 CD :: 50.009 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 :: 4.373 HB2 :: 2.242 HB3 :: 1.765 HG2 :: 2.067 HG3 :: 1.975 HD2 :: 3.782 HD3 :: 3.615 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.L40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.54 C 0.2 G 0.18 R 0.06 C Shift Assignments>> C :: 176.897 CA :: 53.688 CB :: 43.810 CG :: 27.193 CD1 :: 25.140 CD2 :: 23.004 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 :: 7.530 HA :: 4.473 HB2 :: 1.447 HB3 :: 1.447 HG :: 1.670 HD11 :: 0.604 HD12 :: 0.604 HD13 :: 0.604 HD21 :: 0.787 HD22 :: 0.787 HD23 :: 0.787 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 :: 121.652 Ave N Shift Values>> N :: 121.98(4.07) 1.K41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.4 C 0.39 R 0.16 M 0.01 C Shift Assignments>> C :: 176.596 CA :: 56.713 CB :: 33.396 CG :: 24.811 CD :: 28.589 CE :: 41.976 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 :: 8.649 HA :: 4.177 HB2 :: 1.834 HB3 :: 1.696 HG2 :: 1.441 HG3 :: 1.337 HD2 :: 1.588 HD3 :: 1.588 HE2 :: 2.929 HE3 :: 2.929 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 :: 119.189 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.T42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.8 C 0.19 C Shift Assignments>> C :: 172.840 CA :: 59.237 CB :: 71.174 CG2 :: 21.132 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 :: 7.215 HA :: 4.337 HB :: 3.943 HG21 :: 1.010 HG22 :: 1.010 HG23 :: 1.010 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 109.759 Ave N Shift Values>> N :: 115.7(5.05) 1.I43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.58 C 0.4 C Shift Assignments>> C :: 174.381 CA :: 59.535 CB :: 38.429 CG1 :: 28.258 CG2 :: 16.735 CD1 :: 12.850 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 :: 8.260 HA :: 3.883 HB :: 1.681 HG12 :: 1.516 HG13 :: 1.011 HG21 :: 0.840 HG22 :: 0.840 HG23 :: 0.840 HD11 :: 0.745 HD12 :: 0.745 HD13 :: 0.745 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 :: 124.561 Ave N Shift Values>> N :: 121.6(4.72) 1.P44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.78 C 0.21 C Shift Assignments>> C :: 176.092 CA :: 62.985 CB :: 32.191 CG :: 27.275 CD :: 51.174 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 :: 4.315 HB2 :: 1.857 HB3 :: 2.276 HG2 :: 1.680 HG3 :: 1.648 HD2 :: 3.586 HD3 :: 3.276 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.K45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.4 C 0.36 R 0.19 M 0.03 G 0.01 C Shift Assignments>> C :: 177.178 CA :: 55.910 CB :: 32.902 CG :: 24.811 CD :: 28.918 CE :: 42.140 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 :: 8.436 HA :: 4.294 HB2 :: 1.773 HB3 :: 1.683 HG2 :: 1.449 HG3 :: 1.371 HD2 :: 1.664 HD3 :: 1.626 HE2 :: 2.954 HE3 :: 2.954 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 :: 121.594 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.G46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.45 L 0.2 R 0.17 C 0.1 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> C :: 172.986 CA :: 44.482 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.205 HA2 :: 3.935 HA3 :: 3.895 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.799 Ave N Shift Values>> N :: 109.91(4.29) 1.M47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.51 C 0.48 C Shift Assignments>> C :: 175.612 CA :: 56.348 CB :: 33.434 CG :: 31.842 CE :: 17.223 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 8.226 HA :: 4.378 HB2 :: 1.967 HB3 :: 1.874 HG2 :: 2.526 HG3 :: 2.401 HE1 :: 1.994 HE2 :: 1.994 HE3 :: 1.994 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 121.469 Ave N Shift Values>> N :: 120.1(3.88) 1.W48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.56 C 0.42 C Shift Assignments>> C :: 172.338 CA :: 59.772 CB :: 30.310 CD1 :: 126.387 CE3 :: 121.818 CZ2 :: 114.180 CZ3 :: 119.766 CH2 :: 122.806 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 9.505 HA :: 4.534 HB2 :: 2.862 HB3 :: 3.223 HD1 :: 7.200 HE1 :: 9.793 HE3 :: 7.406 HZ2 :: 7.070 HZ3 :: 6.651 HH2 :: 6.310 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 :: 128.803 NE1 :: 129.094 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.I49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.53 C 0.46 C Shift Assignments>> C :: 174.796 CA :: 58.401 CB :: 39.526 CG1 :: 26.897 CG2 :: 18.577 CD1 :: 12.816 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 :: 6.853 HA :: 4.469 HB :: 1.252 HG12 :: 1.184 HG13 :: 0.924 HG21 :: 0.661 HG22 :: 0.661 HG23 :: 0.661 HD11 :: 0.643 HD12 :: 0.643 HD13 :: 0.643 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 :: 126.262 Ave N Shift Values>> N :: 121.6(4.72) 1.C50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.14 W 0.13 C 0.13 E 0.12 H 0.12 M 0.1 K 0.09 Q 0.08 V 0.02 I 0.01 C Shift Assignments>> C :: 173.753 CA :: 57.169 CB :: 31.065 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 9.142 HA :: 3.336 HB2 :: 2.995 HB3 :: 2.295 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 131.988 Ave N Shift Values>> N :: 119.95(4.79) 1.P51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.88 C 0.11 C Shift Assignments>> C :: 179.075 CA :: 65.209 CB :: 32.210 CG :: 28.014 CD :: 50.044 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 :: 4.064 HB2 :: 1.800 HB3 :: 2.339 HG2 :: 1.950 HG3 :: 1.950 HD2 :: 3.397 HD3 :: 3.058 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.R52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.42 C 0.35 K 0.16 G 0.03 L 0.02 HN Overlap>> 1.D10 1.D10 C Shift Assignments>> C :: 178.948 CA :: 57.814 CB :: 30.067 CG :: 26.700 CD :: 42.879 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 :: 8.085 HA :: 4.179 HB2 :: 1.891 HB3 :: 1.849 HG2 :: 1.720 HG3 :: 1.657 HD2 :: 3.162 HD3 :: 3.162 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 :: 117.586 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.C53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.4 P 0.21 V 0.16 C 0.11 W 0.05 E 0.01 R 0.01 C Shift Assignments>> C :: 176.977 CA :: 63.542 CB :: 29.447 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.982 HA :: 3.891 HB2 :: 2.727 HB3 :: 2.645 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 122.672 Ave N Shift Values>> N :: 119.95(4.79) 1.Q54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.25 C 0.25 K 0.23 E 0.13 M 0.07 R 0.04 I 0.01 C Shift Assignments>> C :: 175.740 CA :: 56.986 CB :: 29.352 CG :: 33.888 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 :: 7.559 HA :: 3.969 HB2 :: 1.757 HB3 :: 1.969 HG2 :: 2.184 HG3 :: 2.078 HE21 :: 7.048 HE22 :: 6.626 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 :: 117.965 NE2 :: 112.485 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.D55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.27 L 0.17 C 0.11 N 0.11 K 0.1 F 0.09 Y 0.08 R 0.01 C Shift Assignments>> C :: 175.062 CA :: 54.500 CB :: 40.829 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 :: 7.704 HA :: 4.556 HB2 :: 2.527 HB3 :: 2.716 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 :: 120.040 Ave N Shift Values>> N :: 120.73(4.2) 1.Q56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.26 Q 0.22 E 0.17 M 0.15 K 0.15 R 0.01 I 0.01 C Shift Assignments>> C :: 180.655 CA :: 57.290 CB :: 30.424 CG :: 34.180 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 :: 7.628 HA :: 4.050 HB2 :: 2.049 HB3 :: 1.845 HG2 :: 2.230 HG3 :: 2.230 HE21 :: 7.463 HE22 :: 6.745 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 :: 124.484 NE2 :: 112.668 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 2.ZN1 Overall Status: Residue type ZN not supported. ########################################################################### Overall Results: #Consistent: 54 #Clerical: 0 #Suspicious: 2 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 51 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 5 Shift Relative Order (SRO) Results: #Consistent: 56 #Suspicious: 0 C Shift Results: #Consistent: 224 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 341 #Duplicate: 0 #Unknown: 0 #Suspicious: 6 #Anomalous: 0 N Shift Results: #Consistent: 50 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.L21 HD21 = -0.190(S), Expected = 0.76, Std = 0.2800, ChiSquare = 6.9168e-04 1.L21 HD22 = -0.190(S), Expected = 0.76, Std = 0.2800, ChiSquare = 6.9168e-04 1.L21 HD23 = -0.190(S), Expected = 0.76, Std = 0.2800, ChiSquare = 6.9168e-04 1.L22 HD21 = -0.640(S), Expected = 0.76, Std = 0.2800, ChiSquare = 5.7330e-07 1.L22 HD22 = -0.640(S), Expected = 0.76, Std = 0.2800, ChiSquare = 5.7330e-07 1.L22 HD23 = -0.640(S), Expected = 0.76, Std = 0.2800, ChiSquare = 5.7330e-07