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.P2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.8 C 0.18 C Shift Assignments>> C :: 177.017 CA :: 63.189 CB :: 32.215 CG :: 27.067 CD :: 49.744 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 :: 4.456 HB2 :: 2.292 HB3 :: 1.958 HG2 :: 1.998 HD2 :: 3.539 HD3 :: 3.575 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.L3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.6 C 0.28 R 0.07 G 0.01 A 0.01 C Shift Assignments>> C :: 177.937 CA :: 55.354 CB :: 42.231 CG :: 27.021 CD1 :: 24.914 CD2 :: 23.484 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 :: 8.554 HA :: 4.355 HB2 :: 1.593 HB3 :: 1.673 HG :: 1.662 HD11 :: 0.916 HD12 :: 0.916 HD13 :: 0.916 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 :: 122.623 Ave N Shift Values>> N :: 121.98(4.07) 1.G4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.75 L 0.1 C 0.08 R 0.04 C Shift Assignments>> C :: 174.209 CA :: 45.209 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.452 HA2 :: 4.004 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.222 Ave N Shift Values>> N :: 109.91(4.29) 1.S5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.423 CA :: 58.254 CB :: 63.828 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.172 HA :: 4.467 HB2 :: 3.823 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 :: 115.758 Ave N Shift Values>> N :: 116.3(3.95) 1.E6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.35 C 0.33 K 0.11 M 0.08 Q 0.06 I 0.05 C Shift Assignments>> C :: 176.508 CA :: 56.721 CB :: 29.876 CG :: 36.060 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 :: 8.664 HA :: 4.315 HB2 :: 2.098 HB3 :: 2.028 HG2 :: 2.282 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 122.872 Ave N Shift Values>> N :: 120.68(3.68) 1.V7 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 :: 175.102 CA :: 61.521 CB :: 32.452 CG1 :: 21.475 CG2 :: 19.454 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 :: 8.249 HA :: 4.053 HB :: 2.086 HG11 :: 0.887 HG12 :: 0.887 HG13 :: 0.887 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 117.778 Ave N Shift Values>> N :: 121.02(4.96) 1.S8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.F90 1.F90 C Shift Assignments>> C :: 173.613 CA :: 57.774 CB :: 64.192 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.002 HA :: 4.560 HB2 :: 3.772 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 117.269 Ave N Shift Values>> N :: 116.3(3.95) 1.N9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.53 D 0.2 C 0.15 Y 0.03 F 0.03 L 0.03 C Shift Assignments>> C :: 173.311 CA :: 51.252 CB :: 39.150 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.786 HA :: 4.989 HB2 :: 2.746 HB3 :: 2.854 HD21 :: 7.777 HD22 :: 6.935 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 121.554 ND2 :: 113.263 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.P10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.84 C 0.15 C Shift Assignments>> C :: 177.174 CA :: 63.651 CB :: 32.060 CG :: 26.944 CD :: 50.804 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 :: 4.432 HB2 :: 2.237 HB3 :: 1.985 HG2 :: 1.975 HD2 :: 3.761 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.S11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.670 CA :: 58.568 CB :: 63.691 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.296 HA :: 4.394 HB2 :: 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) N Shift Assignments>> N :: 114.910 Ave N Shift Values>> N :: 116.3(3.95) 1.K12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.48 C 0.35 R 0.1 M 0.03 A 0.01 G 0.01 HN Overlap>> 1.D101 1.D101 C Shift Assignments>> C :: 173.648 CA :: 53.626 CB :: 33.537 CG :: 23.889 CD :: 28.875 CE :: 41.913 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.890 HA :: 4.591 HB2 :: 1.558 HB3 :: 1.706 HG2 :: 1.163 HG3 :: 1.184 HD2 :: 1.065 HD3 :: 1.305 HE2 :: 2.627 HE3 :: 2.682 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 :: 124.518 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.P13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.81 C 0.17 C Shift Assignments>> C :: 176.165 CA :: 63.330 CB :: 32.325 CG :: 27.167 CD :: 49.722 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 :: 4.464 HB2 :: 2.275 HB3 :: 1.937 HG2 :: 1.990 HD2 :: 3.519 HD3 :: 3.588 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.G14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.28 L 0.26 G 0.24 C 0.1 D 0.03 F 0.03 Y 0.02 K 0.01 C Shift Assignments>> C :: 173.337 CA :: 44.016 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.007 HA2 :: 4.151 HA3 :: 3.911 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.126 Ave N Shift Values>> N :: 109.91(4.29) 1.R15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 R 0.2 K 0.18 G 0.14 C Shift Assignments>> C :: 172.885 CA :: 54.977 CB :: 33.627 CG :: 25.757 CD :: 43.635 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 :: 8.438 HA :: 4.619 HB2 :: 1.569 HB3 :: 1.428 HG2 :: 1.132 HE :: 6.353 HH11 :: 6.816 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 :: 117.110 NE :: 86.030 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.K16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.43 C 0.38 R 0.14 M 0.02 HN Overlap>> 1.L51 1.L51 C Shift Assignments>> C :: 176.909 CA :: 55.718 CB :: 33.797 CG :: 24.859 CD :: 29.262 CE :: 41.784 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 :: 8.355 HA :: 4.676 HB2 :: 1.749 HG2 :: 1.476 HD2 :: 1.682 HE2 :: 2.990 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 117.680 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.T17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 T 0.22 A 0.21 HN Overlap>> 1.K33 1.K33 C Shift Assignments>> C :: 174.200 CA :: 57.939 CB :: 73.356 CG2 :: 20.408 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 :: 7.062 HA :: 5.408 HB :: 4.531 HG21 :: 0.854 HG22 :: 0.854 HG23 :: 0.854 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 :: 110.791 Ave N Shift Values>> N :: 115.7(5.05) 1.N18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.27 E 0.25 M 0.13 K 0.09 Q 0.06 Y 0.06 F 0.02 I 0.02 N 0.01 V 0.01 W 0.01 C Shift Assignments>> C :: 178.450 CA :: 56.593 CB :: 35.571 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 9.511 HA :: 4.405 HB2 :: 3.021 HB3 :: 3.105 HD22 :: 6.808 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 122.187 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.Q19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 Q 0.21 K 0.18 E 0.15 M 0.08 I 0.03 R 0.02 HN Overlap>> 1.K48 1.K48 C Shift Assignments>> C :: 178.464 CA :: 59.337 CB :: 29.918 CG :: 33.960 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 :: 8.002 HA :: 3.912 HB2 :: 2.163 HE21 :: 7.463 HE22 :: 6.399 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 :: 123.480 NE2 :: 107.438 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.L20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.41 C 0.24 R 0.11 L 0.1 I 0.1 C Shift Assignments>> C :: 179.209 CA :: 58.964 CB :: 41.748 CG :: 24.946 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 :: 8.396 HA :: 3.983 HB2 :: 1.934 HB3 :: 1.725 HD11 :: 0.853 HD12 :: 0.853 HD13 :: 0.853 HD21 :: 0.907 HD22 :: 0.907 HD23 :: 0.907 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 123.220 Ave N Shift Values>> N :: 121.98(4.07) 1.Q21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 E 0.2 Q 0.18 K 0.18 I 0.06 M 0.03 R 0.02 C Shift Assignments>> C :: 177.603 CA :: 59.350 CB :: 29.182 CG :: 34.556 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 :: 8.743 HA :: 4.190 HB2 :: 2.224 HG2 :: 2.390 HE21 :: 7.690 HE22 :: 6.965 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 :: 120.935 NE2 :: 112.105 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.Y22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.64 C 0.35 C Shift Assignments>> C :: 179.146 CA :: 61.751 CB :: 38.344 CD1 :: 133.512 CD2 :: 133.528 CE1 :: 118.268 CE2 :: 118.264 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 7.847 HA :: 4.325 HB2 :: 3.445 HB3 :: 3.140 HD1 :: 7.101 HE1 :: 6.610 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 :: 121.805 Ave N Shift Values>> N :: 120.79(4.69) 1.M23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 M 0.4 A 0.05 I 0.01 C Shift Assignments>> C :: 177.111 CA :: 57.467 CB :: 30.891 CG :: 33.239 CE :: 18.059 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 :: 8.896 HA :: 4.357 HB2 :: 2.838 HB3 :: 2.253 HG2 :: 3.163 HG3 :: 2.779 HE1 :: 2.184 HE2 :: 2.184 HE3 :: 2.184 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 :: 120.476 Ave N Shift Values>> N :: 120.1(3.88) 1.Q24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 K 0.23 Q 0.19 M 0.08 E 0.06 R 0.06 I 0.01 C Shift Assignments>> C :: 177.017 CA :: 59.722 CB :: 29.764 CG :: 32.978 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 :: 8.332 HA :: 4.040 HB2 :: 2.238 HG2 :: 2.373 HE21 :: 7.677 HE22 :: 6.809 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 118.575 NE2 :: 109.641 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.N25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.26 C 0.21 Y 0.15 D 0.13 F 0.11 E 0.04 L 0.03 I 0.01 M 0.01 C Shift Assignments>> C :: 175.385 CA :: 54.831 CB :: 38.440 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.970 HA :: 4.553 HB2 :: 2.846 HD21 :: 7.547 HD22 :: 6.913 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 115.141 ND2 :: 111.090 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.V26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.89 C 0.1 C Shift Assignments>> C :: 177.908 CA :: 64.466 CB :: 32.260 CG1 :: 20.985 CG2 :: 20.957 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 :: 8.236 HA :: 4.084 HB :: 1.056 HG11 :: 0.574 HG12 :: 0.574 HG13 :: 0.574 HG21 :: 0.663 HG22 :: 0.663 HG23 :: 0.663 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 117.302 Ave N Shift Values>> N :: 121.02(4.96) 1.V27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.96 C 0.03 C Shift Assignments>> C :: 176.922 CA :: 69.123 CB :: 30.703 CG1 :: 23.656 CG2 :: 22.333 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.552 HA :: 3.344 HB :: 2.841 HG11 :: 0.979 HG12 :: 0.979 HG13 :: 0.979 HG21 :: 0.911 HG22 :: 0.911 HG23 :: 0.911 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 120.773 Ave N Shift Values>> N :: 121.02(4.96) 1.V28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.86 C 0.13 C Shift Assignments>> C :: 177.324 CA :: 67.784 CB :: 30.953 CG1 :: 24.823 CG2 :: 22.008 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 :: 9.444 HA :: 3.816 HB :: 2.540 HG11 :: 1.296 HG12 :: 1.296 HG13 :: 1.296 HG21 :: 1.142 HG22 :: 1.142 HG23 :: 1.142 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 118.850 Ave N Shift Values>> N :: 121.02(4.96) 1.K29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.49 C 0.49 M 0.01 C Shift Assignments>> C :: 178.414 CA :: 59.826 CB :: 32.841 CG :: 25.084 CD :: 28.975 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 6.279 HA :: 4.046 HB2 :: 1.759 HB3 :: 1.589 HG2 :: 1.407 HD2 :: 1.749 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 :: 115.491 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.T30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 176.686 CA :: 66.908 CB :: 68.800 CG2 :: 21.321 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 :: 7.423 HA :: 4.019 HB :: 4.281 HG21 :: 1.243 HG22 :: 1.243 HG23 :: 1.243 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 112.338 Ave N Shift Values>> N :: 115.7(5.05) 1.L31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.54 C 0.35 R 0.06 G 0.02 C Shift Assignments>> C :: 178.475 CA :: 58.558 CB :: 42.405 CG :: 27.233 CD1 :: 24.428 CD2 :: 24.291 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 :: 8.379 HA :: 4.106 HB2 :: 2.232 HB3 :: 1.480 HG :: 0.990 HD11 :: 0.954 HD12 :: 0.954 HD13 :: 0.954 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 :: 121.382 Ave N Shift Values>> N :: 121.98(4.07) 1.W32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.63 C 0.34 H 0.01 C Shift Assignments>> C :: 177.083 CA :: 60.806 CB :: 28.563 CD1 :: 127.281 CE3 :: 118.754 CZ2 :: 115.081 CZ3 :: 120.971 CH2 :: 123.695 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 :: 9.204 HA :: 3.899 HB2 :: 3.706 HB3 :: 3.227 HD1 :: 7.035 HE1 :: 9.779 HE3 :: 7.436 HZ2 :: 6.965 HZ3 :: 6.783 HH2 :: 7.141 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 :: 117.011 NE1 :: 131.070 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.K33 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.41 C 0.37 R 0.15 M 0.04 HN Overlap>> 1.T17 1.T17 C Shift Assignments>> C :: 176.506 CA :: 55.922 CB :: 33.031 CG :: 24.659 CD :: 29.355 CE :: 41.988 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.082 HA :: 4.485 HB2 :: 2.042 HG2 :: 1.706 HG3 :: 1.799 HD2 :: 3.085(S) HE2 :: 3.085 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 :: 110.853 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.H34 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Anomalous PRTL>> C 0.45 H 0.31 W 0.23 C Shift Assignments>> C :: 177.241 CA :: 59.180 CB :: 32.213 CD2 :: 117.945 CE1 :: 137.061 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 :: 7.855 HA :: 4.117 HB2 :: 3.137 HD2 :: 7.047 HE1 :: 6.926 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 :: 123.689 ND1 :: 255.789(A) NE2 :: 164.402 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.Q35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 Q 0.23 K 0.22 E 0.1 R 0.07 I 0.03 M 0.01 C Shift Assignments>> C :: 177.013 CA :: 58.933 CB :: 28.132 CG :: 33.923 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 :: 8.538 HA :: 4.246 HB2 :: 2.323 HG2 :: 2.574 HE21 :: 6.868 HE22 :: 6.496 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 :: 128.287 NE2 :: 109.250 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.F36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.44 Y 0.36 F 0.19 C Shift Assignments>> C :: 174.614 CA :: 52.732 CB :: 37.507 CD1 :: 130.297 CD2 :: 130.374 CE1 :: 132.123 CE2 :: 132.068 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>> HA :: 5.253 HB2 :: 3.713 HB3 :: 3.323 HD1 :: 7.405 HD2 :: 7.355 HE1 :: 7.546 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) 1.A37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.37 M 0.32 L 0.17 C 0.08 V 0.02 T 0.01 C Shift Assignments>> C :: 177.835 CA :: 54.224 CB :: 21.097 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.850 HA :: 4.195 HB1 :: 1.615 HB2 :: 1.615 HB3 :: 1.615 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 117.328 Ave N Shift Values>> N :: 123.23(3.7) 1.W38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.55 C 0.4 H 0.03 C Shift Assignments>> C :: 175.700 CA :: 58.592 CB :: 27.226 CD1 :: 127.734 CE3 :: 121.115 CZ2 :: 114.450 CZ3 :: 121.573 CH2 :: 124.718 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 7.044 HB2 :: 2.880 HB3 :: 3.211 HD1 :: 7.673 HE1 :: 10.639 HE3 :: 7.221 HZ2 :: 7.563 HZ3 :: 6.956 HH2 :: 7.126 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 :: 116.090 NE1 :: 130.953 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.P39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.83 C 0.11 R 0.02 V 0.01 C Shift Assignments>> C :: 176.596 CA :: 64.400 CB :: 30.930 CG :: 26.527 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 :: 3.760 HB2 :: 1.607 HG2 :: 1.360 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.F40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.38 C 0.31 F 0.3 C Shift Assignments>> C :: 175.905 CA :: 56.868 CB :: 38.470 CD2 :: 132.444 CE1 :: 129.690 CE2 :: 129.703 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.148 HA :: 4.686 HB2 :: 3.657 HB3 :: 2.757 HD1 :: 7.245 HD2 :: 7.235 HE1 :: 7.061 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 :: 112.296 Ave N Shift Values>> N :: 120.69(4.18) 1.Y41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.73 Y 0.25 H 0.01 HN Overlap>> 1.K56 1.K56 C Shift Assignments>> C :: 174.314 CA :: 56.454 CB :: 37.451 CD1 :: 129.874 CE1 :: 117.084 CE2 :: 117.074 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 7.196 HA :: 4.201 HB2 :: 3.258 HB3 :: 3.181 HD1 :: 6.238 HE1 :: 6.167 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 :: 118.194 Ave N Shift Values>> N :: 120.79(4.69) 1.Q42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 Q 0.23 K 0.22 M 0.14 R 0.06 E 0.02 C Shift Assignments>> C :: 171.952 CA :: 52.850 CB :: 29.618 CG :: 33.044 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 :: 7.427 HA :: 5.028 HB2 :: 1.947 HB3 :: 2.188 HG2 :: 2.279 HE21 :: 7.482 HE22 :: 6.838 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 :: 112.778 NE2 :: 111.495 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.P43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.67 C 0.2 R 0.06 K 0.02 I 0.01 C Shift Assignments>> C :: 177.136 CA :: 62.666 CB :: 32.123 CG :: 27.070 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 :: 4.159 HB2 :: 1.573 HB3 :: 2.295 HG2 :: 1.930 HD2 :: 3.550 HD3 :: 3.914 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.V44 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> V 0.88 C 0.11 C Shift Assignments>> C :: 175.709 CA :: 64.623 CB :: 32.168 CG1 :: 22.336 CG2 :: 19.792 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 :: 8.603 HA :: 3.252 HB :: 1.270 HG11 :: 0.732 HG12 :: 0.732 HG13 :: 0.732 HG21 :: -0.357(S) HG22 :: -0.357(S) HG23 :: -0.357(S) Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 125.344 Ave N Shift Values>> N :: 121.02(4.96) 1.D45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.36 D 0.31 C 0.12 L 0.08 F 0.04 Y 0.04 K 0.01 C Shift Assignments>> CA :: 51.776 CB :: 40.228 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 :: 8.082 HA :: 4.678 HB2 :: 2.974 HB3 :: 2.434 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 :: 129.611 Ave N Shift Values>> N :: 120.73(4.2) 1.A46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.51 M 0.4 C 0.03 L 0.01 I 0.01 V 0.01 C Shift Assignments>> C :: 179.067 CA :: 54.434 CB :: 19.316 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.671 HA :: 3.605 HB1 :: 1.545 HB2 :: 1.545 HB3 :: 1.545 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.517 Ave N Shift Values>> N :: 123.23(3.7) 1.I47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.77 C 0.22 C Shift Assignments>> C :: 179.199 CA :: 63.151 CB :: 36.689 CG1 :: 28.061 CG2 :: 16.923 CD1 :: 11.440 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.988 HA :: 3.971 HB :: 2.108 HG12 :: 1.304 HG13 :: 1.608 HG21 :: 0.887 HG22 :: 0.887 HG23 :: 0.887 HD11 :: 0.877 HD12 :: 0.877 HD13 :: 0.877 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 118.670 Ave N Shift Values>> N :: 121.6(4.72) 1.K48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.42 C 0.39 R 0.15 M 0.02 HN Overlap>> 1.Q19 1.Q19 C Shift Assignments>> C :: 178.652 CA :: 58.976 CB :: 32.622 CG :: 25.108 CD :: 29.216 CE :: 41.812 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.926 HA :: 3.940 HB2 :: 1.742 HB3 :: 1.634 HG2 :: 1.474 HD2 :: 1.386 HE2 :: 2.987 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 :: 123.482 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.L49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 L 0.31 R 0.15 A 0.11 G 0.02 C Shift Assignments>> C :: 175.835 CA :: 54.573 CB :: 42.072 CG :: 25.885 CD1 :: 22.431 CD2 :: 27.220 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 :: 7.844 HA :: 4.256 HB2 :: 1.502 HG :: 0.776 HD11 :: 0.847 HD12 :: 0.847 HD13 :: 0.847 HD21 :: 0.768 HD22 :: 0.768 HD23 :: 0.768 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 :: 113.762 Ave N Shift Values>> N :: 121.98(4.07) 1.N50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 N 0.26 E 0.13 M 0.09 Y 0.07 F 0.03 K 0.03 D 0.02 C Shift Assignments>> C :: 172.831 CA :: 53.813 CB :: 36.516 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 7.467 HA :: 4.249 HB2 :: 3.285 HB3 :: 2.634 HD21 :: 7.583 HD22 :: 6.744 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 116.741 ND2 :: 111.262 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.L51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.38 C 0.27 A 0.26 G 0.05 R 0.02 HN Overlap>> 1.K16 1.K16 C Shift Assignments>> C :: 172.853 CA :: 50.882 CB :: 41.984 CG :: 25.258 CD1 :: 26.890 CD2 :: 22.451 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 :: 8.440 HA :: 5.134 HB2 :: 1.750 HB3 :: 1.637 HG :: 1.361 HD11 :: 0.492 HD12 :: 0.492 HD13 :: 0.492 HD21 :: 0.933 HD22 :: 0.933 HD23 :: 0.933 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 117.752 Ave N Shift Values>> N :: 121.98(4.07) 1.P52 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 :: 177.322 CA :: 65.033 CB :: 31.673 CG :: 27.404 CD :: 50.722 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.468 HB2 :: 2.041 HB3 :: 2.354 HG2 :: 2.069 HD2 :: 3.906 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.D53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 N 0.23 L 0.13 C 0.11 F 0.06 Y 0.06 K 0.04 C Shift Assignments>> C :: 177.538 CA :: 53.142 CB :: 40.545 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 :: 8.694 HA :: 4.635 HB2 :: 2.790 HB3 :: 3.057 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 116.030 Ave N Shift Values>> N :: 120.73(4.2) 1.Y54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.66 C 0.33 C Shift Assignments>> C :: 176.358 CA :: 63.999 CB :: 39.199 CD1 :: 132.905 CE1 :: 116.672 CE2 :: 116.602 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 7.755 HA :: 3.544 HB2 :: 2.697 HB3 :: 2.370 HD1 :: 6.677 HE1 :: 6.046 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 :: 123.934 Ave N Shift Values>> N :: 120.79(4.69) 1.H55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.39 C 0.32 W 0.27 C Shift Assignments>> C :: 175.348 CA :: 57.608 CB :: 28.668 CD2 :: 118.168 CE1 :: 138.064 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 :: 8.468 HA :: 4.513 HB2 :: 3.348 HB3 :: 2.920 HD2 :: 7.159 HE1 :: 7.989 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 :: 112.237 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.K56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.39 C 0.37 R 0.19 M 0.03 HN Overlap>> 1.Y41 1.Y41 C Shift Assignments>> C :: 177.172 CA :: 57.403 CB :: 32.428 CG :: 25.021 CD :: 29.183 CE :: 41.945 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.240 HA :: 4.167 HB2 :: 1.906 HG2 :: 1.470 HG3 :: 1.357 HD2 :: 1.688 HE2 :: 2.999 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 :: 118.228 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.I57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.79 C 0.2 C Shift Assignments>> C :: 175.551 CA :: 62.270 CB :: 39.732 CG1 :: 28.433 CG2 :: 17.280 CD1 :: 12.603 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.168 HA :: 3.850 HB :: 1.681 HG12 :: 1.266 HG21 :: 0.949 HG22 :: 0.949 HG23 :: 0.949 HD11 :: 0.917 HD12 :: 0.917 HD13 :: 0.917 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 119.040 Ave N Shift Values>> N :: 121.6(4.72) 1.I58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.9 A 0.06 I 0.01 C Shift Assignments>> C :: 173.955 CA :: 56.822 CB :: 33.758 CG1 :: 25.248 CG2 :: 16.238 CD1 :: 9.460 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 :: 8.395 HA :: 3.903 HB :: 1.303 HG12 :: 0.474 HG13 :: 0.885 HG21 :: 0.442 HG22 :: 0.442 HG23 :: 0.442 HD11 :: 0.683 HD12 :: 0.683 HD13 :: 0.683 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 121.663 Ave N Shift Values>> N :: 121.6(4.72) 1.K59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.38 C 0.36 R 0.22 M 0.01 C Shift Assignments>> C :: 176.699 CA :: 56.665 CB :: 32.846 CG :: 24.816 CD :: 28.243 CE :: 42.057 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.840 HA :: 4.206 HB2 :: 1.854 HB3 :: 1.679 HG2 :: 1.392 HG3 :: 1.454 HD2 :: 1.617 HE2 :: 3.004 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 :: 124.731 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.N60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.52 D 0.2 C 0.17 L 0.03 F 0.02 Y 0.02 C Shift Assignments>> C :: 170.747 CA :: 50.209 CB :: 39.438 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.392 HA :: 5.236 HB2 :: 2.760 HB3 :: 2.675 HD21 :: 7.608 HD22 :: 6.872 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 116.816 ND2 :: 113.667 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.P61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.71 C 0.17 R 0.04 K 0.02 I 0.01 C Shift Assignments>> C :: 174.819 CA :: 63.120 CB :: 32.086 CG :: 27.779 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 :: 3.973 HB2 :: 2.350 HB3 :: 1.976 HD2 :: 3.639 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.M62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.5 C 0.47 A 0.01 C Shift Assignments>> C :: 172.544 CA :: 53.952 CB :: 31.779 CG :: 30.893 CE :: 13.876 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 :: 8.130 HA :: 5.000 HB2 :: 1.192 HB3 :: 2.101 HG2 :: 1.922 HG3 :: 1.843 HE1 :: 1.993 HE2 :: 1.993 HE3 :: 1.993 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 119.058 Ave N Shift Values>> N :: 120.1(3.88) 1.D63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.36 L 0.25 R 0.13 C 0.12 D 0.07 F 0.01 Y 0.01 C Shift Assignments>> C :: 172.831 CA :: 53.029 CB :: 44.215 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 :: 7.434 HA :: 4.749 HB2 :: 2.512 HB3 :: 2.175 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 119.668 Ave N Shift Values>> N :: 120.73(4.2) 1.M64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.58 M 0.36 I 0.05 C Shift Assignments>> C :: 177.295 CA :: 59.353 CB :: 35.181 CG :: 32.213 CE :: 15.413 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 :: 8.949 HA :: 3.913 HB2 :: 2.322 HB3 :: 2.018 HG2 :: 2.826 HE1 :: 2.058 HE2 :: 2.058 HE3 :: 2.058 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 :: 121.335 Ave N Shift Values>> N :: 120.1(3.88) 1.G65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.44 C 0.27 P 0.14 A 0.06 N 0.02 L 0.01 D 0.01 C Shift Assignments>> C :: 177.612 CA :: 47.908 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.694 HA2 :: 4.411 HA3 :: 4.107 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 113.791 Ave N Shift Values>> N :: 109.91(4.29) 1.T66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.98 C 0.01 C Shift Assignments>> C :: 175.996 CA :: 67.103 CB :: 67.368 CG2 :: 21.299 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.566 HA :: 3.724 HB :: 4.116 HG21 :: 0.893 HG22 :: 0.893 HG23 :: 0.893 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 :: 124.424 Ave N Shift Values>> N :: 115.7(5.05) 1.I67 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.94 C 0.05 C Shift Assignments>> C :: 177.036 CA :: 65.862 CB :: 38.932 CG1 :: 28.872 CG2 :: 17.495 CD1 :: 11.919 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.208 HA :: 3.680 HB :: 1.414 HG12 :: 1.074 HG13 :: 1.307 HG21 :: 0.782 HG22 :: 0.782 HG23 :: 0.782 HD11 :: -0.476(S) HD12 :: -0.476(S) HD13 :: -0.476(S) Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 122.163 Ave N Shift Values>> N :: 121.6(4.72) 1.K68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 K 0.43 R 0.09 M 0.01 G 0.01 C Shift Assignments>> C :: 178.106 CA :: 60.977 CB :: 33.105 CG :: 24.509 CD :: 29.591 CE :: 41.940 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 :: 8.574 HA :: 3.885 HB2 :: 2.063 HB3 :: 1.789 HG2 :: 1.189 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 120.128 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.K69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.4 C 0.36 R 0.21 M 0.01 C Shift Assignments>> C :: 179.104 CA :: 59.103 CB :: 32.055 CG :: 25.183 CD :: 28.870 CE :: 41.947 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 :: 8.063 HA :: 4.037 HB2 :: 1.872 HB3 :: 1.811 HG2 :: 1.530 HG3 :: 1.470 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 :: 118.573 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.R70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.16 C 0.15 I 0.15 E 0.11 R 0.09 H 0.07 V 0.07 Q 0.06 K 0.06 M 0.02 P 0.02 C Shift Assignments>> C :: 179.385 CA :: 60.277 CB :: 29.869 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 :: 8.445 HA :: 3.797 HB2 :: 2.187 HG2 :: 1.661 HE :: 6.114 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 120.882 NE :: 83.939 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.L71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.53 C 0.36 R 0.08 G 0.01 C Shift Assignments>> C :: 180.524 CA :: 58.350 CB :: 41.936 CG :: 27.388 CD1 :: 24.934 CD2 :: 24.934 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 :: 8.517 HA :: 4.422 HB2 :: 2.309 HB3 :: 1.433 HG :: 0.962 HD11 :: 0.855 HD12 :: 0.855 HD13 :: 0.855 HD21 :: 0.970 HD22 :: 0.970 HD23 :: 0.970 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 :: 120.562 Ave N Shift Values>> N :: 121.98(4.07) 1.E72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.35 C 0.34 I 0.17 K 0.07 M 0.02 Q 0.02 C Shift Assignments>> C :: 177.794 CA :: 58.745 CB :: 29.423 CG :: 36.521 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 :: 8.348 HA :: 3.970 HB2 :: 1.941 HG2 :: 2.517 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 119.490 Ave N Shift Values>> N :: 120.68(3.68) 1.N73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.49 D 0.17 C 0.16 Y 0.06 F 0.05 L 0.02 E 0.01 HN Overlap>> 1.Y76 1.Y76 C Shift Assignments>> C :: 174.715 CA :: 52.638 CB :: 38.645 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 7.992 HA :: 4.800 HB2 :: 3.014 HB3 :: 2.761 HD21 :: 7.543 HD22 :: 7.066 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 115.133 ND2 :: 112.546 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.N74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 E 0.18 N 0.17 M 0.11 Y 0.08 K 0.04 F 0.03 Q 0.01 D 0.01 C Shift Assignments>> C :: 174.244 CA :: 54.373 CB :: 36.290 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 7.899 HA :: 4.867 HB2 :: 2.929 HB3 :: 2.679 HD21 :: 7.522 HD22 :: 6.662 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 116.575 ND2 :: 112.401 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.Y75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.67 C 0.32 C Shift Assignments>> C :: 176.836 CA :: 60.193 CB :: 40.766 CD1 :: 132.411 CD2 :: 132.750 CE1 :: 117.146 CE2 :: 117.141 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 :: 8.547 HA :: 4.066 HB2 :: 2.960 HB3 :: 2.165 HD1 :: 6.366 HE1 :: 6.633 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 :: 116.065 Ave N Shift Values>> N :: 120.79(4.69) 1.Y76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.56 C 0.43 HN Overlap>> 1.N73 1.N73 C Shift Assignments>> C :: 175.337 CA :: 57.218 CB :: 39.001 CD1 :: 133.250 CD2 :: 133.250 CE1 :: 117.860 CE2 :: 117.917 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 :: 8.005 HA :: 4.519 HB2 :: 3.203 HD1 :: 7.606 HE1 :: 7.189 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 :: 115.145 Ave N Shift Values>> N :: 120.79(4.69) 1.W77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.53 C 0.43 H 0.03 C Shift Assignments>> C :: 175.568 CA :: 58.754 CB :: 30.428 CD1 :: 126.925 CE3 :: 120.615 CZ2 :: 114.488 CZ3 :: 122.065 CH2 :: 124.850 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 :: 9.811 HA :: 4.520 HB2 :: 3.464 HB3 :: 3.387 HD1 :: 7.219 HE1 :: 10.208 HE3 :: 7.400 HZ2 :: 7.461 HZ3 :: 7.098 HH2 :: 7.239 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 122.364 NE1 :: 129.726 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.S78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.97 T 0.01 C Shift Assignments>> CA :: 54.770 CB :: 65.721 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.813 HA :: 5.075 HB2 :: 4.063 HB3 :: 3.649 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 :: 108.970 Ave N Shift Values>> N :: 116.3(3.95) 1.A79 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> M 0.52 A 0.38 C 0.03 I 0.03 V 0.01 C Shift Assignments>> C :: 178.915 CA :: 55.149 CB :: 18.615 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 10.371(S) HA :: 3.916 HB1 :: 1.392 HB2 :: 1.392 HB3 :: 1.392 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 132.523 Ave N Shift Values>> N :: 123.23(3.7) 1.S80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.23 T 0.22 V 0.2 P 0.09 C 0.04 F 0.04 Y 0.03 S 0.03 W 0.03 E 0.01 R 0.01 C Shift Assignments>> C :: 177.482 CA :: 61.813 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.069 HA :: 3.982 HB2 :: 4.159 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 116.894 Ave N Shift Values>> N :: 116.3(3.95) 1.E81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 E 0.32 M 0.11 I 0.07 C Shift Assignments>> C :: 178.070 CA :: 58.470 CB :: 31.990 CG :: 37.028 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.574 HA :: 4.237 HB2 :: 2.568 HB3 :: 2.516 HG2 :: 2.664 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 122.828 Ave N Shift Values>> N :: 120.68(3.68) 1.C82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.43 P 0.29 C 0.11 R 0.05 W 0.03 K 0.02 Q 0.01 C Shift Assignments>> C :: 176.536 CA :: 61.909 CB :: 26.444 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 6.495 HA :: 3.664 HB2 :: 2.640 HB3 :: 1.837 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 120.809 Ave N Shift Values>> N :: 119.95(4.79) 1.M83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 M 0.44 C Shift Assignments>> C :: 178.189 CA :: 59.922 CB :: 32.570 CG :: 32.453 CE :: 16.230 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 :: 8.717 HA :: 4.342 HB2 :: 2.782 HB3 :: 2.555 HG2 :: 2.413 HG3 :: 2.337 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 :: 118.030 Ave N Shift Values>> N :: 120.1(3.88) 1.Q84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 K 0.22 Q 0.22 E 0.09 R 0.08 I 0.03 M 0.01 P 0.01 C Shift Assignments>> C :: 178.194 CA :: 59.137 CB :: 27.999 CG :: 33.830 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 :: 7.792 HA :: 4.243 HB2 :: 2.337 HG2 :: 2.569 HE21 :: 7.548 HE22 :: 6.978 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 118.589 NE2 :: 112.593 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.D85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.27 Y 0.27 C 0.19 I 0.12 L 0.04 D 0.04 K 0.01 E 0.01 HN Overlap>> 1.A109 1.A109 C Shift Assignments>> C :: 178.693 CA :: 58.342 CB :: 39.584 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 :: 7.706 HA :: 4.513 HB2 :: 2.939 HB3 :: 2.617 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 122.059 Ave N Shift Values>> N :: 120.73(4.2) 1.F86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.41 Y 0.41 C 0.17 C Shift Assignments>> C :: 177.088 CA :: 63.604 CB :: 39.641 CD1 :: 132.266 CD2 :: 132.117 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.183 HA :: 3.470 HB2 :: 2.867 HB3 :: 2.076 HD1 :: 6.874 HE1 :: 7.065 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 120.254 Ave N Shift Values>> N :: 120.69(4.18) 1.N87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.26 C 0.23 F 0.2 I 0.08 E 0.07 D 0.05 N 0.04 L 0.02 M 0.01 C Shift Assignments>> C :: 178.983 CA :: 57.182 CB :: 38.464 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.425 HA :: 4.709 HB2 :: 3.002 HD21 :: 7.717 HD22 :: 7.010 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 116.585 ND2 :: 111.996 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.T88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.97 C 0.02 C Shift Assignments>> C :: 174.285 CA :: 66.529 CB :: 68.791 CG2 :: 22.781 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 :: 9.033 HA :: 3.830 HB :: 4.311 HG21 :: 1.291 HG22 :: 1.291 HG23 :: 1.291 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 121.534 Ave N Shift Values>> N :: 115.7(5.05) 1.M89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 M 0.36 I 0.08 C Shift Assignments>> C :: 179.073 CA :: 60.179 CB :: 34.176 CG :: 31.505 CE :: 17.897 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 :: 7.857 HA :: 3.562 HB2 :: 2.022 HG2 :: 2.562 HE1 :: 1.792 HE2 :: 1.792 HE3 :: 1.792 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 :: 120.727 Ave N Shift Values>> N :: 120.1(3.88) 1.F90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.42 Y 0.34 C 0.23 HN Overlap>> 1.S8 1.S8 C Shift Assignments>> C :: 176.129 CA :: 61.754 CB :: 37.758 CD1 :: 131.678 CD2 :: 131.747 CE1 :: 130.462 CE2 :: 130.472 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.077 HA :: 3.861 HB2 :: 2.896 HD1 :: 6.911 HE1 :: 6.462 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 117.232 Ave N Shift Values>> N :: 120.69(4.18) 1.T91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.98 C 0.01 C Shift Assignments>> C :: 176.550 CA :: 67.269 CB :: 68.844 CG2 :: 21.947 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.672 HA :: 3.890 HB :: 4.324 HG21 :: 1.433 HG22 :: 1.433 HG23 :: 1.433 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 113.277 Ave N Shift Values>> N :: 115.7(5.05) 1.N92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.23 N 0.23 Y 0.16 F 0.11 D 0.09 E 0.07 L 0.02 M 0.02 I 0.02 C Shift Assignments>> C :: 176.167 CA :: 55.073 CB :: 38.054 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.835 HA :: 4.324 HB2 :: 2.930 HB3 :: 2.608 HD21 :: 6.720 HD22 :: 7.427 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 119.294 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.C93 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> I 0.46 P 0.27 C 0.11 R 0.04 K 0.03 W 0.02 V 0.02 C Shift Assignments>> C :: 177.279 CA :: 62.124 CB :: 25.883 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 6.939 HA :: 4.178 HB2 :: 3.172 HB3 :: 3.076 HG :: 2.865(A) Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 118.111 Ave N Shift Values>> N :: 119.95(4.79) 1.Y94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 Y 0.44 H 0.03 C Shift Assignments>> C :: 178.346 CA :: 56.531 CB :: 36.351 CD1 :: 131.782 CD2 :: 131.333 CE1 :: 118.143 CE2 :: 118.145 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 7.722 HA :: 4.802 HB2 :: 3.357 HB3 :: 3.255 HD1 :: 7.054 HE1 :: 6.986 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 :: 118.770 Ave N Shift Values>> N :: 120.79(4.69) 1.I95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.87 C 0.12 C Shift Assignments>> C :: 178.374 CA :: 63.820 CB :: 38.526 CG1 :: 28.641 CG2 :: 17.255 CD1 :: 13.450 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 :: 8.673 HA :: 4.024 HB :: 1.930 HG12 :: 1.230 HG13 :: 1.836 HG21 :: 0.843 HG22 :: 0.843 HG23 :: 0.843 HD11 :: 0.880 HD12 :: 0.880 HD13 :: 0.880 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 118.386 Ave N Shift Values>> N :: 121.6(4.72) 1.Y96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.73 C 0.26 C Shift Assignments>> C :: 175.287 CA :: 62.304 CB :: 40.125 CD1 :: 133.081 CD2 :: 133.081 CE1 :: 118.058 CE2 :: 118.046 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 :: 8.227 HA :: 4.034 HB2 :: 2.989 HB3 :: 2.955 HD1 :: 6.953 HE1 :: 6.675 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 117.990 Ave N Shift Values>> N :: 120.79(4.69) 1.N97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.26 L 0.25 C 0.11 R 0.1 K 0.09 N 0.06 F 0.04 Y 0.02 G 0.02 C Shift Assignments>> C :: 174.010 CA :: 52.711 CB :: 42.328 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 7.451 HA :: 4.688 HB2 :: 2.798 HD21 :: 8.777 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 113.629 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.K98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.41 C 0.31 R 0.23 M 0.02 HN Overlap>> 1.Q123 1.A107 1.Q123 1.A107 C Shift Assignments>> CA :: 54.936 CB :: 31.509 CG :: 25.106 CD :: 28.801 CE :: 41.760 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 :: 8.522 HA :: 4.526 HB2 :: 1.819 HG2 :: 1.540 HD2 :: 1.721 HE2 :: 3.028 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 :: 121.806 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.P99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.85 C 0.14 C Shift Assignments>> C :: 176.178 CA :: 65.142 CB :: 32.213 CG :: 27.499 CD :: 50.692 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 :: 4.348 HB2 :: 2.417 HB3 :: 1.941 HG2 :: 2.146 HG3 :: 2.083 HD2 :: 3.845 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.T100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.86 C 0.13 C Shift Assignments>> C :: 175.111 CA :: 60.182 CB :: 68.960 CG2 :: 21.689 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 :: 6.819 HA :: 4.241 HB :: 4.559 HG21 :: 1.178 HG22 :: 1.178 HG23 :: 1.178 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 :: 101.007 Ave N Shift Values>> N :: 115.7(5.05) 1.D101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.26 L 0.18 K 0.11 C 0.11 F 0.1 N 0.09 Y 0.08 R 0.02 HN Overlap>> 1.K12 1.K12 C Shift Assignments>> C :: 177.271 CA :: 54.740 CB :: 40.940 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 :: 7.951 HA :: 4.591 HB2 :: 3.093 HB3 :: 2.951 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 :: 124.468 Ave N Shift Values>> N :: 120.73(4.2) 1.D102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.23 Y 0.19 C 0.15 K 0.13 L 0.11 D 0.07 I 0.05 R 0.02 C Shift Assignments>> C :: 178.564 CA :: 57.793 CB :: 40.784 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 :: 9.277 HA :: 4.219 HB2 :: 2.647 HB3 :: 2.541 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 123.582 Ave N Shift Values>> N :: 120.73(4.2) 1.I103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.53 C 0.45 HN Overlap>> 1.K117 1.K117 C Shift Assignments>> C :: 175.571 CA :: 61.239 CB :: 37.333 CG1 :: 28.962 CG2 :: 19.806 CD1 :: 15.224 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 :: 8.546 HA :: 4.140 HB :: 1.756 HG12 :: 1.344 HG13 :: 1.084 HG21 :: 0.852 HG22 :: 0.852 HG23 :: 0.852 HD11 :: 0.520 HD12 :: 0.520 HD13 :: 0.520 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 :: 115.152 Ave N Shift Values>> N :: 121.6(4.72) 1.V104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.66 V 0.32 C Shift Assignments>> C :: 177.286 CA :: 67.000 CB :: 31.208 CG1 :: 26.398 CG2 :: 21.671 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 6.961 HA :: 3.831 HB :: 2.289 HG11 :: 1.144 HG12 :: 1.144 HG13 :: 1.144 HG21 :: 1.067 HG22 :: 1.067 HG23 :: 1.067 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 :: 123.401 Ave N Shift Values>> N :: 121.02(4.96) 1.L105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.53 C 0.42 R 0.03 C Shift Assignments>> C :: 181.245 CA :: 58.016 CB :: 40.788 CG :: 27.489 CD1 :: 25.214 CD2 :: 23.213 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 :: 7.209 HA :: 4.118 HB2 :: 1.808 HB3 :: 1.561 HG :: 1.775 HD11 :: 0.896 HD12 :: 0.896 HD13 :: 0.896 HD21 :: 0.871 HD22 :: 0.871 HD23 :: 0.871 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 :: 121.041 Ave N Shift Values>> N :: 121.98(4.07) 1.M106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 M 0.36 I 0.1 C Shift Assignments>> C :: 177.142 CA :: 59.415 CB :: 34.778 CG :: 31.381 CE :: 17.092 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 :: 8.191 HA :: 3.746 HB2 :: 2.257 HB3 :: 2.144 HG2 :: 2.323 HE1 :: 1.804 HE2 :: 1.804 HE3 :: 1.804 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 119.763 Ave N Shift Values>> N :: 120.1(3.88) 1.A107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.53 A 0.27 C 0.06 V 0.04 L 0.03 I 0.02 T 0.02 HN Overlap>> 1.K98 1.K98 C Shift Assignments>> C :: 178.757 CA :: 55.841 CB :: 19.661 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.579 HA :: 3.851 HB1 :: 1.893 HB2 :: 1.893 HB3 :: 1.893 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.898 Ave N Shift Values>> N :: 123.23(3.7) 1.Q108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 Q 0.21 K 0.21 E 0.16 I 0.05 R 0.04 M 0.01 C Shift Assignments>> C :: 180.093 CA :: 58.841 CB :: 28.349 CG :: 34.455 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 :: 8.924 HA :: 4.125 HB2 :: 2.294 HB3 :: 1.874 HG2 :: 3.147 HE21 :: 7.386 HE22 :: 6.771 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 :: 116.026 NE2 :: 110.653 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.A109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.52 A 0.4 I 0.03 C 0.02 HN Overlap>> 1.D85 1.D85 C Shift Assignments>> C :: 180.863 CA :: 54.874 CB :: 18.100 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.612 HA :: 4.196 HB1 :: 1.799 HB2 :: 1.799 HB3 :: 1.799 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.058 Ave N Shift Values>> N :: 123.23(3.7) 1.L110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.6 C 0.34 G 0.02 R 0.01 C Shift Assignments>> C :: 178.471 CA :: 57.474 CB :: 42.395 CG :: 26.510 CD1 :: 23.455 CD2 :: 23.355 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 :: 7.856 HA :: 3.718 HB2 :: 1.910 HB3 :: 1.400 HG :: 0.641 HD11 :: 0.552 HD12 :: 0.552 HD13 :: 0.552 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 119.125 Ave N Shift Values>> N :: 121.98(4.07) 1.E111 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.33 E 0.29 I 0.17 K 0.11 Q 0.06 M 0.01 C Shift Assignments>> C :: 177.982 CA :: 59.133 CB :: 28.645 CG :: 35.873 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 9.113 HA :: 3.202 HB2 :: 1.672 HB3 :: 0.650(S) HG2 :: 1.461(S) Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 122.255 Ave N Shift Values>> N :: 120.68(3.68) 1.K112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.43 C 0.38 R 0.15 M 0.01 C Shift Assignments>> C :: 179.527 CA :: 60.015 CB :: 32.380 CG :: 25.274 CD :: 29.173 CE :: 41.971 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.574 HA :: 3.922 HB2 :: 1.899 HG2 :: 1.609 HG3 :: 1.409 HD2 :: 1.698 HE2 :: 2.931 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 117.739 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.I113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.88 C 0.11 C Shift Assignments>> C :: 177.764 CA :: 64.177 CB :: 37.628 CG1 :: 28.343 CG2 :: 17.820 CD1 :: 13.352 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.048 HA :: 3.818 HB :: 1.923 HG12 :: 1.687 HG13 :: 1.273 HG21 :: 0.920 HG22 :: 0.920 HG23 :: 0.920 HD11 :: 0.885 HD12 :: 0.885 HD13 :: 0.885 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 119.662 Ave N Shift Values>> N :: 121.6(4.72) 1.F114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.5 C 0.26 Y 0.22 C Shift Assignments>> C :: 176.112 CA :: 61.767 CB :: 38.791 CD1 :: 131.224 CD2 :: 131.316 CZ :: 127.209 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.756 HA :: 3.827 HB2 :: 3.502 HB3 :: 3.017 HD1 :: 6.691 HE1 :: 6.918 HZ :: 6.403 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 121.753 Ave N Shift Values>> N :: 120.69(4.18) 1.L115 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.52 L 0.34 R 0.1 A 0.02 C Shift Assignments>> C :: 180.382 CA :: 57.686 CB :: 41.615 CG :: 25.487 CD1 :: 26.998 CD2 :: 21.894 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 :: 8.728 HA :: 3.657 HB2 :: 1.867 HB3 :: 1.349 HG :: 0.905 HD11 :: 2.009(S) HD12 :: 2.009(S) HD13 :: 2.009(S) HD21 :: 0.875 HD22 :: 0.875 HD23 :: 0.875 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 118.548 Ave N Shift Values>> N :: 121.98(4.07) 1.Q116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 Q 0.23 K 0.23 E 0.1 R 0.07 I 0.03 M 0.02 C Shift Assignments>> C :: 179.195 CA :: 58.860 CB :: 28.257 CG :: 33.884 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 :: 7.777 HA :: 4.039 HB2 :: 2.299 HB3 :: 2.184 HG2 :: 2.603 HE21 :: 7.068 HE22 :: 6.730 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 119.928 NE2 :: 110.967 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.K117 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 K 0.31 R 0.29 M 0.01 HN Overlap>> 1.I103 1.I103 C Shift Assignments>> C :: 182.142(A) CA :: 56.562 CB :: 32.085 CG :: 23.739 CD :: 27.065 CE :: 41.840 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 :: 8.455 HA :: 4.274 HB2 :: 2.061 HB3 :: 1.645 HG2 :: 1.237 HD2 :: 1.469 HE2 :: 2.838 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 :: 115.175 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.V118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.96 C 0.03 C Shift Assignments>> C :: 177.726 CA :: 66.680 CB :: 31.195 CG1 :: 21.783 CG2 :: 22.193 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 :: 9.015 HA :: 3.680 HB :: 1.866 HG11 :: 0.680 HG12 :: 0.680 HG13 :: 0.680 HG21 :: 0.452 HG22 :: 0.452 HG23 :: 0.452 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 :: 123.173 Ave N Shift Values>> N :: 121.02(4.96) 1.A119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.49 M 0.45 C 0.02 I 0.01 C Shift Assignments>> C :: 178.222 CA :: 54.283 CB :: 18.039 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.397 HA :: 4.141 HB1 :: 1.496 HB2 :: 1.496 HB3 :: 1.496 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.480 Ave N Shift Values>> N :: 123.23(3.7) 1.Q120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.29 C 0.25 K 0.24 E 0.09 M 0.07 R 0.04 C Shift Assignments>> C :: 174.300 CA :: 54.335 CB :: 29.231 CG :: 33.923 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 :: 6.855 HA :: 4.368 HB2 :: 2.419 HB3 :: 1.941 HG2 :: 2.348 HG3 :: 2.447 HE21 :: 7.445 HE22 :: 6.849 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 :: 113.027 NE2 :: 111.383 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.M121 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> C 0.39 A 0.34 M 0.23 I 0.01 C Shift Assignments>> C :: 173.074 CA :: 53.972 CB :: 35.275 CG :: 29.842 CE :: 16.899 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 :: 7.057 HA :: 2.797(A) HB2 :: 1.578 HB3 :: 1.874 HG2 :: 1.955 HG3 :: 2.598 HE1 :: 2.052 HE2 :: 2.052 HE3 :: 2.052 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 :: 121.993 Ave N Shift Values>> N :: 120.1(3.88) 1.P122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.81 C 0.18 C Shift Assignments>> C :: 177.276 CA :: 63.207 CB :: 31.871 CG :: 27.787 CD :: 50.584 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 :: 4.258 HB2 :: 2.377 HB3 :: 1.735 HG2 :: 1.629 HD2 :: 3.254 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.Q123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.26 Q 0.23 K 0.21 E 0.18 M 0.05 R 0.03 I 0.02 HN Overlap>> 1.K98 1.K98 C Shift Assignments>> C :: 175.662 CA :: 57.928 CB :: 29.347 CG :: 34.315 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 :: 8.514 HA :: 3.824 HB2 :: 2.135 HB3 :: 1.951 HG2 :: 2.403 HE21 :: 7.534 HE22 :: 6.902 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 121.770 NE2 :: 113.550 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.E124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 E 0.31 M 0.2 Q 0.06 K 0.05 I 0.01 C Shift Assignments>> C :: 174.555 CA :: 54.693 CB :: 30.880 CG :: 35.959 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.912 HA :: 4.492 HB2 :: 1.900 HB3 :: 1.820 HG2 :: 2.100 HG3 :: 2.163 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 118.900 Ave N Shift Values>> N :: 120.68(3.68) 1.E125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 E 0.26 I 0.14 M 0.02 K 0.01 L 0.01 C Shift Assignments>> C :: 175.637 CA :: 56.376 CB :: 29.855 CG :: 38.507 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 :: 8.844 HA :: 4.875 HB2 :: 1.744 HB3 :: 2.095 HG2 :: 1.930 HG3 :: 2.108 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 127.583 Ave N Shift Values>> N :: 120.68(3.68) 1.V126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.64 V 0.33 I 0.01 C Shift Assignments>> C :: 174.530 CA :: 59.858 CB :: 35.478 CG1 :: 21.052 CG2 :: 19.492 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 :: 8.771 HA :: 4.398 HB :: 1.893 HG11 :: 0.903 HG12 :: 0.903 HG13 :: 0.903 HG21 :: 0.813 HG22 :: 0.813 HG23 :: 0.813 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 126.851 Ave N Shift Values>> N :: 121.02(4.96) 1.E127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.39 C 0.37 M 0.08 I 0.07 K 0.05 Q 0.01 C Shift Assignments>> C :: 175.188 CA :: 56.984 CB :: 30.268 CG :: 36.757 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 :: 8.685 HA :: 4.288 HB2 :: 1.996 HB3 :: 1.847 HG2 :: 2.476 HG3 :: 2.354 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 :: 125.945 Ave N Shift Values>> N :: 120.68(3.68) 1.L128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.42 C 0.27 R 0.19 G 0.07 A 0.02 C Shift Assignments>> C :: 181.950 CA :: 55.804 CB :: 43.321 CG :: 27.545 CD1 :: 25.985 CD2 :: 22.699 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 :: 7.801 HA :: 4.227 HB2 :: 1.325 HB3 :: 1.544 HG :: 1.381 HD11 :: 0.749 HD12 :: 0.749 HD13 :: 0.749 HD21 :: 0.803 HD22 :: 0.803 HD23 :: 0.803 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 :: 131.220 Ave N Shift Values>> N :: 121.98(4.07) 2.K1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.A2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.S3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.G4 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.ALY5 Overall Status: Residue type ALY not supported. 2.G6 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 8.594 HA2 :: 3.875 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) 2.K7 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 8.395 HA :: 4.418 HB2 :: 1.801 HB3 :: 1.902 HG2 :: 1.494 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) 2.ALY8 Overall Status: Residue type ALY not supported. 2.L9 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 8.353 HA :: 4.347 HB2 :: 1.784 HB3 :: 1.853 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) 2.R10 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 8.456 HA :: 4.293 HB2 :: 1.751 HB3 :: 1.830 HG2 :: 1.563 HD2 :: 3.231 HE :: 7.250 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) 2.G11 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.S12 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.N13 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 8.183 HA :: 4.498 HB2 :: 2.790 HB3 :: 2.689 HD21 :: 6.831 HD22 :: 7.528 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) ########################################################################### Overall Results: #Consistent: 129 #Clerical: 0 #Suspicious: 6 #Anomalous: 4 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 127 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 12 Shift Relative Order (SRO) Results: #Consistent: 139 #Suspicious: 0 C Shift Results: #Consistent: 588 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 1 H Shift Results: #Consistent: 844 #Duplicate: 0 #Unknown: 0 #Suspicious: 13 #Anomalous: 2 N Shift Results: #Consistent: 140 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 1 Error Summary: 1.K33 HD2 = 3.085(S), Expected = 1.61, Std = 0.2500, ChiSquare = 3.6350e-09 1.H34 ND1 = 255.789(A), Expected = 190.74, Std = 22.8400, ChiSquare = 4.3991e-03 1.V44 HG21 = -0.357(S), Expected = 0.83, Std = 0.2900, ChiSquare = 4.2564e-05 1.V44 HG22 = -0.357(S), Expected = 0.83, Std = 0.2900, ChiSquare = 4.2564e-05 1.V44 HG23 = -0.357(S), Expected = 0.83, Std = 0.2900, ChiSquare = 4.2564e-05 1.I67 HD11 = -0.476(S), Expected = 0.70, Std = 0.3000, ChiSquare = 8.8549e-05 1.I67 HD12 = -0.476(S), Expected = 0.70, Std = 0.3000, ChiSquare = 8.8549e-05 1.I67 HD13 = -0.476(S), Expected = 0.70, Std = 0.3000, ChiSquare = 8.8549e-05 1.A79 H = 10.371(S), Expected = 8.20, Std = 0.6000, ChiSquare = 2.9651e-04 1.C93 HG = 2.865(A), Expected = 1.66, Std = 0.4800, ChiSquare = 1.2059e-02 1.E111 HB3 = 0.650(S), Expected = 2.04, Std = 0.2300, ChiSquare = 1.5083e-09 1.E111 HG2 = 1.461(S), Expected = 2.31, Std = 0.2100, ChiSquare = 5.2804e-05 1.L115 HD11 = 2.009(S), Expected = 0.77, Std = 0.2700, ChiSquare = 4.4561e-06 1.L115 HD12 = 2.009(S), Expected = 0.77, Std = 0.2700, ChiSquare = 4.4561e-06 1.L115 HD13 = 2.009(S), Expected = 0.77, Std = 0.2700, ChiSquare = 4.4561e-06 1.K117 C = 182.142(A), Expected = 176.46, Std = 2.0500, ChiSquare = 5.5763e-03 1.M121 HA = 2.797(A), Expected = 4.39, Std = 0.4600, ChiSquare = 5.3410e-04