Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> M 0.43 Q 0.35 K 0.17 E 0.02 C Shift Assignments>> C :: 172 CA :: 55.09 CB :: 32.98 CG :: 30.8 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> HA :: 4.01 HB2 :: 2.019 HB3 :: 2.019 HG2 :: 2.422 HG3 :: 2.422 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) 1.Y2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.36 F 0.29 I 0.15 E 0.06 D 0.03 N 0.02 L 0.02 M 0.01 C Shift Assignments>> C :: 175.9 CA :: 57.92 CB :: 38.34 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.688 HA :: 4.737 HB2 :: 3.017 HB3 :: 2.961 HD1 :: 7.038 HD2 :: 7.038 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 122.1 Ave N Shift Values>> N :: 120.52(4.2) 1.G3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.91 L 0.07 C Shift Assignments>> C :: 174.3 CA :: 46.05 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.434 HA2 :: 3.909 HA3 :: 3.841 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.1 Ave N Shift Values>> N :: 109.67(3.87) 1.K4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.73 R 0.25 G 0.01 HN Overlap>> 1.H83 1.H83 C Shift Assignments>> C :: 178 CA :: 56.93 CB :: 32.68 CG :: 24.99 CD :: 28.83 CE :: 42.07 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.06 HA :: 4.297 HB2 :: 1.843 HB3 :: 1.843 HG2 :: 1.409 HG3 :: 1.409 HD2 :: 1.69 HD3 :: 1.69 HE2 :: 2.932 HE3 :: 2.932 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 119.5 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.96 R 0.03 HN Overlap>> 1.K72 1.K72 C Shift Assignments>> C :: 177.9 CA :: 57.93 CB :: 41.62 CG :: 27.18 CD1 :: 24.89 CD2 :: 24.89 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.243 HA :: 3.947 HB2 :: 1.625 HB3 :: 1.625 HG :: 1.602 HD11 :: 0.827 HD12 :: 0.827 HD13 :: 0.827 HD21 :: 0.8134 HD22 :: 0.8134 HD23 :: 0.8134 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.8 Ave N Shift Values>> N :: 121.86(3.9) 1.N6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.33 F 0.27 E 0.09 I 0.09 N 0.08 D 0.06 L 0.03 M 0.02 C Shift Assignments>> C :: 177.3 CA :: 56.9 CB :: 38.2 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.256 HA :: 4.252 HB2 :: 2.753 HB3 :: 2.675 HD21 :: 7.603 HD22 :: 6.773 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 116.2 ND2 :: 112.4 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.D7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.3 Y 0.29 D 0.14 L 0.11 I 0.06 N 0.04 K 0.01 C Shift Assignments>> C :: 178 CA :: 56.98 CB :: 39.87 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.699 HA :: 4.32 HB2 :: 2.73 HB3 :: 2.73 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 119.1 Ave N Shift Values>> N :: 120.65(3.86) 1.L8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.87 R 0.11 C Shift Assignments>> C :: 178.8 CA :: 57.79 CB :: 41.88 CG :: 27.16 CD1 :: 25.81 CD2 :: 24.53 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.58 HA :: 4.091 HB2 :: 1.782 HB3 :: 1.523 HG :: 1.686 HD11 :: 0.7764 HD12 :: 0.7764 HD13 :: 0.7764 HD21 :: 0.7977 HD22 :: 0.7977 HD23 :: 0.7977 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.4 Ave N Shift Values>> N :: 121.86(3.9) 1.L9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.98 C Shift Assignments>> C :: 178.9 CA :: 58.35 CB :: 41.51 CG :: 26.06 CD1 :: 24.52 CD2 :: 23.34 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.125 HA :: 3.891 HB2 :: 1.813 HB3 :: 1.564 HG :: 1.647 HD11 :: 0.7846 HD12 :: 0.7846 HD13 :: 0.7846 HD21 :: 0.6922 HD22 :: 0.6922 HD23 :: 0.6922 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 118.9 Ave N Shift Values>> N :: 121.86(3.9) 1.E10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.37 K 0.32 R 0.12 E 0.09 I 0.06 M 0.01 HN Overlap>> 1.H83 1.H83 C Shift Assignments>> C :: 179 CA :: 59.09 CB :: 27.91 CG :: 34 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.011 HA :: 4.072 HB2 :: 2.153 HB3 :: 2.153 HG2 :: 2.467 HG3 :: 2.467 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.3 Ave N Shift Values>> N :: 120.67(3.48) 1.D11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.32 F 0.27 N 0.11 D 0.09 I 0.07 L 0.05 E 0.04 M 0.01 HN Overlap>> 1.L16 1.L16 C Shift Assignments>> C :: 178.5 CA :: 56.58 CB :: 38.6 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.128 HA :: 4.383 HB2 :: 3.036 HB3 :: 2.712 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 119.6 Ave N Shift Values>> N :: 120.65(3.86) 1.L12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.94 R 0.04 HN Overlap>> 1.K28 1.K28 C Shift Assignments>> C :: 178.2 CA :: 57.88 CB :: 41.85 CG :: 27.05 CD1 :: 24.98 CD2 :: 24.36 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.394 HA :: 3.923 HB2 :: 1.796 HB3 :: 1.553 HG :: 1.594 HD11 :: 0.6961 HD12 :: 0.6961 HD13 :: 0.6961 HD21 :: 0.5374 HD22 :: 0.5374 HD23 :: 0.5374 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.5 Ave N Shift Values>> N :: 121.86(3.9) 1.Q13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.31 Q 0.31 E 0.18 I 0.11 R 0.05 M 0.01 C Shift Assignments>> C :: 178.6 CA :: 59.57 CB :: 28.44 CG :: 34.45 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.371 HA :: 3.879 HB2 :: 2.275 HB3 :: 2.109 HG2 :: 2.297 HG3 :: 2.297 HE21 :: 7.133 HE22 :: 6.81 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 118.4 NE2 :: 109.8 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.E14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.28 E 0.28 Q 0.27 I 0.1 R 0.02 M 0.01 C Shift Assignments>> C :: 179 CA :: 59.03 CB :: 28.72 CG :: 34.86 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.913 HA :: 4.021 HB2 :: 2.222 HB3 :: 2.125 HG2 :: 2.429 HG3 :: 2.429 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.1 Ave N Shift Values>> N :: 120.67(3.48) 1.V15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.L68 1.E63 1.L68 1.E63 C Shift Assignments>> C :: 178.3 CA :: 66.64 CB :: 31.47 CG1 :: 23.14 CG2 :: 22.03 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.991 HA :: 3.696 HB :: 2.222 HG11 :: 1.034 HG12 :: 1.034 HG13 :: 1.034 HG21 :: 0.8971 HG22 :: 0.8971 HG23 :: 0.8971 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 120.3 Ave N Shift Values>> N :: 121.14(4.54) 1.L16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.97 R 0.02 HN Overlap>> 1.D11 1.D11 C Shift Assignments>> C :: 178.4 CA :: 58.05 CB :: 41.42 CG :: 26.92 CD1 :: 25.14 CD2 :: 24.2 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.172 HA :: 3.876 HB2 :: 1.668 HB3 :: 1.634 HG :: 2.09 HD11 :: 0.7635 HD12 :: 0.7635 HD13 :: 0.7635 HD21 :: 0.7451 HD22 :: 0.7451 HD23 :: 0.7451 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.7 Ave N Shift Values>> N :: 121.86(3.9) 1.K17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.8 R 0.18 G 0.01 C Shift Assignments>> C :: 178.8 CA :: 59.47 CB :: 32.35 CG :: 25.35 CD :: 29.47 CE :: 41.99 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.755 HA :: 3.951 HB2 :: 1.78 HB3 :: 1.78 HG2 :: 1.295 HG3 :: 1.539 HD2 :: 1.587 HD3 :: 1.587 HE2 :: 2.845 HE3 :: 2.845 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 117.8 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.H18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.18 W 0.16 Q 0.16 E 0.14 H 0.13 R 0.1 I 0.06 M 0.02 L 0.02 HN Overlap>> 1.H22 1.H22 C Shift Assignments>> C :: 177.2 CA :: 57.87 CB :: 28.73 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 7.847 HA :: 4.549 HB2 :: 3.38 HB3 :: 3.322 HD2 :: 7.276 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 116.2 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.V19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.99 C Shift Assignments>> CA :: 65.85 CB :: 31.6 CG1 :: 22.97 CG2 :: 21.31 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.415 HA :: 3.746 HB :: 2.178 HG11 :: 0.968 HG12 :: 0.968 HG13 :: 0.968 HG21 :: 0.758 HG22 :: 0.758 HG23 :: 0.758 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) 1.N20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.33 Y 0.2 F 0.17 D 0.13 E 0.05 L 0.04 M 0.02 I 0.02 C Shift Assignments>> C :: 176.9 CA :: 55.07 CB :: 38.27 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.041 HA :: 4.545 HB2 :: 2.743 HB3 :: 2.818 HD21 :: 7.56 HD22 :: 6.81 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 117.9 ND2 :: 111.3 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.Q21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.39 K 0.37 E 0.11 R 0.05 M 0.05 I 0.01 C Shift Assignments>> C :: 176.9 CA :: 57.51 CB :: 29.1 CG :: 33.86 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.887 HA :: 4.096 HB2 :: 1.99 HB3 :: 1.887 HG2 :: 2.385 HG3 :: 2.214 HE21 :: 7.413 HE22 :: 6.808 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 117.9 NE2 :: 111.4 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.H22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.19 K 0.18 H 0.15 W 0.13 E 0.12 R 0.1 L 0.05 M 0.03 I 0.01 HN Overlap>> 1.H18 1.H18 C Shift Assignments>> C :: 174.3 CA :: 55.77 CB :: 28.63 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 7.887 HA :: 4.679 HB2 :: 3.33 HB3 :: 3.003 HD2 :: 7.104 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 116.1 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.W23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.18 E 0.17 H 0.14 Q 0.14 R 0.13 K 0.12 M 0.04 I 0.03 V 0.01 C Shift Assignments>> C :: 176.6 CA :: 58.02 CB :: 29.7 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 7.929 HA :: 4.542 HB2 :: 3.395 HB3 :: 3.22 HD1 :: 7.078 HE1 :: 9.973 HE3 :: 7.599 HZ2 :: 7.259 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 122 NE1 :: 128.7 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.Q24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.41 K 0.36 M 0.09 E 0.08 R 0.04 C Shift Assignments>> C :: 176.2 CA :: 55.96 CB :: 29.44 CG :: 33.72 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.258 HA :: 4.329 HB2 :: 1.822 HB3 :: 2.045 HG2 :: 2.245 HG3 :: 2.245 HE21 :: 7.312 HE22 :: 6.761 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 123.8 NE2 :: 112 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.G25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.08 C Shift Assignments>> C :: 174.8 CA :: 45.47 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.47 HA2 :: 3.939 HA3 :: 3.8 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.1 Ave N Shift Values>> N :: 109.67(3.87) 1.G26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.09 C Shift Assignments>> C :: 174.9 CA :: 45.41 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.332 HA2 :: 4.105 HA3 :: 3.974 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.7 Ave N Shift Values>> N :: 109.67(3.87) 1.Q27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.39 K 0.37 E 0.11 R 0.05 M 0.04 I 0.01 C Shift Assignments>> C :: 177.1 CA :: 57.54 CB :: 29.05 CG :: 33.92 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.474 HA :: 4.106 HB2 :: 2.034 HB3 :: 2.05 HG2 :: 2.339 HG3 :: 2.339 HE21 :: 7.493 HE22 :: 6.815 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 121.1 NE2 :: 112.4 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.K28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.8 R 0.18 HN Overlap>> 1.L12 1.L12 C Shift Assignments>> C :: 177.9 CA :: 58.41 CB :: 32.21 CG :: 24.89 CD :: 29.12 CE :: 41.93 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.448 HA :: 4.068 HB2 :: 1.762 HB3 :: 1.762 HG2 :: 1.319 HG3 :: 1.319 HD2 :: 1.422 HD3 :: 1.422 HE2 :: 2.925 HE3 :: 2.925 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.5 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.N29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.45 Y 0.15 D 0.14 F 0.13 L 0.04 E 0.03 M 0.02 I 0.01 C Shift Assignments>> C :: 176.2 CA :: 54.4 CB :: 38.28 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.273 HA :: 4.584 HB2 :: 2.914 HB3 :: 2.825 HD21 :: 7.681 HD22 :: 6.978 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 117.5 ND2 :: 112.6 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.M30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.44 Q 0.29 K 0.24 R 0.01 C Shift Assignments>> C :: 177 CA :: 56.88 CB :: 32.34 CG :: 30.77 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 7.87 HA :: 4.085 HB2 :: 2.542 HB3 :: 2.542 HG2 :: 2.814 HG3 :: 2.814 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 121.1 Ave N Shift Values>> N :: 120.09(3.57) 1.N31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.29 Y 0.22 F 0.19 D 0.13 L 0.05 E 0.04 I 0.02 M 0.02 C Shift Assignments>> C :: 176.7 CA :: 55.32 CB :: 38.41 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.186 HA :: 4.311 HB2 :: 2.743 HB3 :: 2.743 HD21 :: 7.508 HD22 :: 6.865 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 117.9 ND2 :: 112 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.K32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.83 R 0.15 G 0.01 HN Overlap>> 1.H101 1.H101 C Shift Assignments>> C :: 177.9 CA :: 59.05 CB :: 32.46 CG :: 24.89 CD :: 29.27 CE :: 42.1 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.792 HA :: 3.992 HB2 :: 1.795 HB3 :: 1.795 HG2 :: 1.321 HG3 :: 1.321 HD2 :: 1.442 HD3 :: 1.442 HE2 :: 2.927 HE3 :: 2.927 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.4 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 177.1 CA :: 65.36 CB :: 31.92 CG1 :: 22.76 CG2 :: 21.13 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.689 HA :: 3.791 HB :: 1.932 HG11 :: 0.9561 HG12 :: 0.9561 HG13 :: 0.9561 HG21 :: 0.7562 HG22 :: 0.7562 HG23 :: 0.7562 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 120.2 Ave N Shift Values>> N :: 121.14(4.54) 1.D34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.26 F 0.23 N 0.19 D 0.14 L 0.06 I 0.04 E 0.03 M 0.01 HN Overlap>> 1.Q76 1.Q76 C Shift Assignments>> C :: 178.2 CA :: 55.88 CB :: 38.71 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.408 HA :: 4.303 HB2 :: 2.714 HB3 :: 2.714 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 120.1 Ave N Shift Values>> N :: 120.65(3.86) 1.H35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.15 W 0.14 Q 0.14 K 0.14 E 0.11 I 0.11 H 0.1 L 0.05 M 0.01 C Shift Assignments>> C :: 176.8 CA :: 58.31 CB :: 28.07 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.204 HA :: 4.343 HB2 :: 3.137 HB3 :: 3.137 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 118.2 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.H36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.17 K 0.17 E 0.14 Q 0.14 H 0.11 I 0.09 R 0.09 M 0.02 L 0.01 HN Overlap>> 1.E97 1.H95 1.E97 1.H95 C Shift Assignments>> C :: 177.1 CA :: 58.52 CB :: 28.72 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.067 HA :: 4.602 HB2 :: 3.276 HB3 :: 3.276 HD2 :: 7.434 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 117.1 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.L37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.87 R 0.11 HN Overlap>> 1.D43 1.D43 C Shift Assignments>> C :: 178.2 CA :: 58.52 CB :: 41.81 CG :: 27.29 CD1 :: 25.73 CD2 :: 24.65 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.473 HA :: 3.894 HB2 :: 1.887 HB3 :: 1.517 HG :: 1.716 HD11 :: 0.7807 HD12 :: 0.7807 HD13 :: 0.7807 HD21 :: 0.7807 HD22 :: 0.7807 HD23 :: 0.7807 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.6 Ave N Shift Values>> N :: 121.86(3.9) 1.Q38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.37 K 0.31 R 0.14 E 0.08 I 0.06 M 0.01 C Shift Assignments>> C :: 178.5 CA :: 59.2 CB :: 27.85 CG :: 33.91 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.337 HA :: 3.882 HB2 :: 2.039 HB3 :: 1.901 HG2 :: 2.31 HG3 :: 2.127 HE21 :: 7.423 HE22 :: 6.802 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 118 NE2 :: 111.6 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.N39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.23 E 0.21 N 0.19 F 0.16 M 0.07 D 0.04 I 0.04 L 0.01 K 0.01 C Shift Assignments>> C :: 177.5 CA :: 55.78 CB :: 37.45 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.923 HA :: 4.39 HB2 :: 3.075 HB3 :: 2.811 HD21 :: 7.826 HD22 :: 6.464 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 118.7 ND2 :: 110.3 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.V40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.L68 1.L82 1.L68 1.L82 1.V85 1.V85 C Shift Assignments>> C :: 177.5 CA :: 67.08 CB :: 31.39 CG1 :: 23.05 CG2 :: 22.16 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.907 HA :: 3.629 HB :: 2.174 HG11 :: 0.9479 HG12 :: 0.9479 HG13 :: 0.9479 HG21 :: 0.7661 HG22 :: 0.7661 HG23 :: 0.7661 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 120.4 Ave N Shift Values>> N :: 121.14(4.54) 1.I41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> 1.L57 1.L57 C Shift Assignments>> C :: 178 CA :: 66.43 CB :: 38.05 CG1 :: 31.02 CG2 :: 17.07 CD1 :: 13.45 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.103 HA :: 3.401 HB :: 1.904 HG12 :: 0.8238 HG13 :: 0.8238 HG21 :: 0.832 HG22 :: 0.832 HG23 :: 0.832 HD11 :: 0.6862 HD12 :: 0.6862 HD13 :: 0.6862 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 120.6 Ave N Shift Values>> N :: 121.46(4.28) 1.E42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.34 K 0.31 E 0.16 I 0.09 R 0.07 M 0.01 C Shift Assignments>> C :: 178.5 CA :: 59.12 CB :: 28.16 CG :: 34.4 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.15 HA :: 4.062 HB2 :: 2.144 HB3 :: 2.144 HG2 :: 2.466 HG3 :: 2.466 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.9 Ave N Shift Values>> N :: 120.67(3.48) 1.D43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.29 F 0.22 E 0.15 N 0.11 I 0.06 D 0.05 M 0.04 L 0.02 HN Overlap>> 1.L37 1.L37 C Shift Assignments>> C :: 178.4 CA :: 56.49 CB :: 37.82 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.453 HA :: 4.445 HB2 :: 3.192 HB3 :: 2.716 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 119.7 Ave N Shift Values>> N :: 120.65(3.86) 1.I44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 177.8 CA :: 66.32 CB :: 37.69 CG1 :: 29.83 CG2 :: 18.6 CD1 :: 14.4 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.544 HA :: 3.59 HB :: 1.962 HG12 :: 0.8519 HG13 :: 0.8519 HG21 :: 0.8629 HG22 :: 0.8629 HG23 :: 0.8629 HD11 :: 0.6807 HD12 :: 0.6807 HD13 :: 0.6807 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 121.5 Ave N Shift Values>> N :: 121.46(4.28) 1.H45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.27 R 0.15 W 0.15 Q 0.1 K 0.09 E 0.08 H 0.07 L 0.04 C Shift Assignments>> C :: 177.2 CA :: 59.58 CB :: 27.79 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.261 HA :: 4.255 HB2 :: 3.406 HB3 :: 3.406 HD2 :: 7.293 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 118.8 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.D46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.32 F 0.31 D 0.12 L 0.08 I 0.07 N 0.05 C Shift Assignments>> C :: 178.7 CA :: 57.01 CB :: 39.4 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.68 HA :: 4.338 HB2 :: 2.753 HB3 :: 2.937 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 119.2 Ave N Shift Values>> N :: 120.65(3.86) 1.F47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.48 Y 0.25 F 0.25 C Shift Assignments>> C :: 178.6 CA :: 61.25 CB :: 39.57 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.38 HA :: 4.07 HB2 :: 3.186 HB3 :: 3.116 HD1 :: 7.102 HD2 :: 7.102 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 121.8 Ave N Shift Values>> N :: 120.45(4.18) 1.M48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.74 Q 0.21 E 0.03 C Shift Assignments>> C :: 177.4 CA :: 58.47 CB :: 33.17 CG :: 32.58 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.366 HA :: 3.998 HB2 :: 2.166 HB3 :: 2.166 HG2 :: 2.51 HG3 :: 2.773 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 117.7 Ave N Shift Values>> N :: 120.09(3.57) 1.Q49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.39 K 0.37 E 0.09 R 0.06 M 0.05 C Shift Assignments>> C :: 176.7 CA :: 56.38 CB :: 28.98 CG :: 33.81 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.659 HA :: 4.258 HB2 :: 2.13 HB3 :: 1.977 HG2 :: 2.295 HG3 :: 2.302 HE21 :: 7.3 HE22 :: 6.791 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 116.7 NE2 :: 111.5 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.G50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.08 C Shift Assignments>> C :: 174.9 CA :: 45.46 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.685 HA2 :: 3.998 HA3 :: 3.998 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.4 Ave N Shift Values>> N :: 109.67(3.87) 1.G51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.83 L 0.11 R 0.01 F 0.01 C Shift Assignments>> C :: 174.5 CA :: 45.19 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.031 HA2 :: 3.817 HA3 :: 3.817 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.9 Ave N Shift Values>> N :: 109.67(3.87) 1.G52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 L 0.12 R 0.02 F 0.01 C Shift Assignments>> C :: 173.3 CA :: 45.12 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.126 HA2 :: 3.362 HA3 :: 3.362 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.1 Ave N Shift Values>> N :: 109.67(3.87) 1.S53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 1 C Shift Assignments>> C :: 175.3 CA :: 57.77 CB :: 64.75 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.594 HA :: 4.53 HB2 :: 4.042 HB3 :: 3.94 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 114.1 Ave N Shift Values>> N :: 116.28(3.52) 1.G54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.93 L 0.05 C Shift Assignments>> C :: 176.5 CA :: 47.04 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.003 HA2 :: 4.037 HA3 :: 3.911 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.4 Ave N Shift Values>> N :: 109.67(3.87) 1.G55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.93 L 0.05 C Shift Assignments>> C :: 176.4 CA :: 46.63 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.617 HA2 :: 3.946 HA3 :: 3.946 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.8 Ave N Shift Values>> N :: 109.67(3.87) 1.K56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.69 R 0.29 C Shift Assignments>> C :: 178.6 CA :: 57.96 CB :: 32.11 CG :: 25.03 CD :: 28.43 CE :: 41.9 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.876 HA :: 4.195 HB2 :: 1.922 HB3 :: 1.922 HG2 :: 1.513 HG3 :: 1.513 HD2 :: 1.711 HD3 :: 1.711 HE2 :: 2.935 HE3 :: 2.935 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 121.8 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.97 R 0.01 HN Overlap>> 1.I41 1.I41 C Shift Assignments>> C :: 178.4 CA :: 58.19 CB :: 41.36 CG :: 27.03 CD1 :: 24.92 CD2 :: 23.94 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.153 HA :: 3.992 HB2 :: 1.787 HB3 :: 1.636 HG :: 1.485 HD11 :: 0.6901 HD12 :: 0.6901 HD13 :: 0.6901 HD21 :: 0.6291 HD22 :: 0.6291 HD23 :: 0.6291 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.7 Ave N Shift Values>> N :: 121.86(3.9) 1.Q58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.36 K 0.32 R 0.11 E 0.1 I 0.08 M 0.01 C Shift Assignments>> C :: 179.1 CA :: 59.36 CB :: 28.03 CG :: 34.06 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.019 HA :: 3.942 HB2 :: 2.148 HB3 :: 2.148 HG2 :: 2.427 HG3 :: 2.427 HE21 :: 7.468 HE22 :: 6.839 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 117.4 NE2 :: 111.9 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.E59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 K 0.24 Q 0.21 I 0.13 M 0.01 R 0.01 C Shift Assignments>> C :: 178.6 CA :: 59.25 CB :: 28.96 CG :: 35.16 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.838 HA :: 4.03 HB2 :: 2.142 HB3 :: 2.142 HG2 :: 2.354 HG3 :: 2.426 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.9 Ave N Shift Values>> N :: 120.67(3.48) 1.M60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.55 Q 0.31 K 0.07 E 0.05 HN Overlap>> 1.Q76 1.Q76 C Shift Assignments>> C :: 177.9 CA :: 59.35 CB :: 33.21 CG :: 31.59 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.223 HA :: 3.966 HB2 :: 2.2 HB3 :: 2.379 HG2 :: 2.5 HG3 :: 2.362 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 120.1 Ave N Shift Values>> N :: 120.09(3.57) 1.M61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.56 Q 0.28 K 0.13 E 0.01 HN Overlap>> 1.H95 1.H95 C Shift Assignments>> C :: 179.1 CA :: 58.21 CB :: 31.34 CG :: 32.43 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.134 HA :: 4.195 HB2 :: 2.094 HB3 :: 2.165 HG2 :: 2.443 HG3 :: 2.515 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 117 Ave N Shift Values>> N :: 120.09(3.57) 1.K62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.82 R 0.15 G 0.01 C Shift Assignments>> C :: 179.6 CA :: 59.61 CB :: 32.18 CG :: 25.06 CD :: 29.24 CE :: 42.11 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.782 HA :: 4.085 HB2 :: 1.937 HB3 :: 1.937 HG2 :: 1.384 HG3 :: 1.56 HD2 :: 1.658 HD3 :: 1.658 HE2 :: 2.925 HE3 :: 2.925 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.6 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.44 K 0.19 I 0.18 Q 0.14 M 0.01 HN Overlap>> 1.V15 1.V15 C Shift Assignments>> C :: 178.9 CA :: 59.17 CB :: 29 CG :: 35.61 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.041 HA :: 4.057 HB2 :: 2.142 HB3 :: 2.142 HG2 :: 2.406 HG3 :: 2.406 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.2 Ave N Shift Values>> N :: 120.67(3.48) 1.F64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.35 Y 0.32 F 0.26 E 0.03 C Shift Assignments>> C :: 177.8 CA :: 59.82 CB :: 38.47 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.604 HA :: 4.155 HB2 :: 3.228 HB3 :: 3.054 HD1 :: 7.143 HD2 :: 7.143 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 119.7 Ave N Shift Values>> N :: 120.45(4.18) 1.Q65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.37 K 0.36 R 0.1 E 0.08 I 0.04 M 0.02 C Shift Assignments>> C :: 177.8 CA :: 58.97 CB :: 28.28 CG :: 33.86 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.177 HA :: 3.637 HB2 :: 2.155 HB3 :: 2.155 HG2 :: 2.278 HG3 :: 2.278 HE21 :: 7.442 HE22 :: 6.669 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 118.5 NE2 :: 113.5 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Q66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.35 K 0.33 E 0.13 R 0.08 I 0.07 M 0.01 C Shift Assignments>> C :: 178.6 CA :: 59.15 CB :: 28.23 CG :: 34.19 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.622 HA :: 4.04 HB2 :: 1.908 HB3 :: 1.752 HG2 :: 2.325 HG3 :: 2.172 HE21 :: 7.221 HE22 :: 6.717 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 117.4 NE2 :: 111 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.V67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 177.5 CA :: 66.22 CB :: 31.39 CG1 :: 23.91 CG2 :: 21.44 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.744 HA :: 3.785 HB :: 2.249 HG11 :: 1.047 HG12 :: 1.047 HG13 :: 1.047 HG21 :: 0.8975 HG22 :: 0.8975 HG23 :: 0.8975 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 119.5 Ave N Shift Values>> N :: 121.14(4.54) 1.L68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.98 R 0.01 HN Overlap>> 1.L82 1.V40 1.V85 1.V15 1.L82 1.V40 1.V85 1.V15 C Shift Assignments>> C :: 179.1 CA :: 58.74 CB :: 41.09 CG :: 27.11 CD1 :: 25.04 CD2 :: 24.21 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.983 HA :: 3.825 HB2 :: 1.681 HB3 :: 1.544 HG :: 1.491 HD11 :: 0.4678 HD12 :: 0.4678 HD13 :: 0.4678 HD21 :: 0.5563 HD22 :: 0.5563 HD23 :: 0.5563 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.4 Ave N Shift Values>> N :: 121.86(3.9) 1.D69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.32 Y 0.3 D 0.12 L 0.11 I 0.07 N 0.03 K 0.02 C Shift Assignments>> C :: 178.9 CA :: 57.32 CB :: 40.04 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.179 HA :: 4.38 HB2 :: 2.798 HB3 :: 2.664 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 119 Ave N Shift Values>> N :: 120.65(3.86) 1.E70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 K 0.24 Q 0.21 I 0.13 M 0.01 R 0.01 C Shift Assignments>> C :: 179.6 CA :: 59.01 CB :: 28.9 CG :: 35.22 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.166 HA :: 4.082 HB2 :: 2.06 HB3 :: 2.06 HG2 :: 2.416 HG3 :: 2.416 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.5 Ave N Shift Values>> N :: 120.67(3.48) 1.I71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> 1.H86 1.H86 C Shift Assignments>> C :: 177.4 CA :: 64.89 CB :: 37.68 CG1 :: 32.8 CG2 :: 17.75 CD1 :: 13.85 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.415 HA :: 3.79 HB :: 2.019 HG12 :: 1.193 HG13 :: 1.193 HG21 :: 0.8606 HG22 :: 0.8606 HG23 :: 0.8606 HD11 :: 0.7726 HD12 :: 0.7726 HD13 :: 0.7726 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 119.2 Ave N Shift Values>> N :: 121.46(4.28) 1.K72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.86 R 0.12 G 0.01 HN Overlap>> 1.L5 1.L5 C Shift Assignments>> C :: 178.4 CA :: 59.85 CB :: 32.07 CG :: 24.83 CD :: 29.39 CE :: 42.03 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.248 HA :: 3.625 HB2 :: 1.978 HB3 :: 1.905 HG2 :: 1.329 HG3 :: 1.329 HE2 :: 2.909 HE3 :: 2.909 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.8 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Q73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.38 K 0.36 E 0.1 R 0.08 I 0.03 M 0.02 HN Overlap>> 1.E87 1.E87 C Shift Assignments>> C :: 178.4 CA :: 58.51 CB :: 28.43 CG :: 33.98 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.937 HA :: 4.042 HB2 :: 2.136 HB3 :: 2.136 HG2 :: 2.466 HG3 :: 2.378 HE21 :: 7.417 HE22 :: 6.786 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 117 NE2 :: 111.8 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Q74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.38 K 0.38 R 0.1 E 0.06 M 0.05 I 0.01 C Shift Assignments>> C :: 177.8 CA :: 57.27 CB :: 28.7 CG :: 33.59 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.712 HA :: 4.08 HB2 :: 1.997 HB3 :: 1.997 HG2 :: 2.164 HG3 :: 2.164 HE21 :: 7.463 HE22 :: 6.528 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 118.2 NE2 :: 111.3 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.93 R 0.05 G 0.01 C Shift Assignments>> CA :: 56.66 CB :: 42 CG :: 26.6 CD1 :: 25.41 CD2 :: 24.18 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.956 HA :: 4.212 HB2 :: 1.627 HB3 :: 1.583 HG :: 1.609 HD11 :: 0.6648 HD12 :: 0.6648 HD13 :: 0.6648 HD21 :: 0.6973 HD22 :: 0.6973 HD23 :: 0.6973 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.7 Ave N Shift Values>> N :: 121.86(3.9) 1.Q76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.38 K 0.36 E 0.12 R 0.07 M 0.03 I 0.01 HN Overlap>> 1.M60 1.D34 1.M60 1.D34 C Shift Assignments>> C :: 177.1 CA :: 57.4 CB :: 28.64 CG :: 34.04 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.315 HA :: 4.113 HB2 :: 2.064 HB3 :: 2.064 HG2 :: 2.381 HG3 :: 2.381 HE21 :: 7.342 HE22 :: 6.707 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 120.1 NE2 :: 111.2 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.G77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.08 C Shift Assignments>> C :: 174.6 CA :: 45.43 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.021 HA2 :: 4.042 HA3 :: 3.869 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.7 Ave N Shift Values>> N :: 109.67(3.87) 1.G78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.82 L 0.12 R 0.02 F 0.01 C Shift Assignments>> C :: 173.9 CA :: 45.14 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.819 HA2 :: 4.208 HA3 :: 3.801 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.1 Ave N Shift Values>> N :: 109.67(3.87) 1.D79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.35 N 0.34 L 0.13 F 0.08 Y 0.06 K 0.01 C Shift Assignments>> C :: 176.2 CA :: 53.21 CB :: 40.16 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.912 HA :: 4.722 HB2 :: 2.768 HB3 :: 2.583 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 119.8 Ave N Shift Values>> N :: 120.65(3.86) 1.N80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.36 D 0.19 Y 0.16 F 0.15 L 0.06 E 0.01 I 0.01 M 0.01 C Shift Assignments>> C :: 177.3 CA :: 54.68 CB :: 38.79 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.45 HA :: 4.593 HB2 :: 2.807 HB3 :: 2.807 HD21 :: 7.585 HD22 :: 6.902 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 121.7 ND2 :: 113.2 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.S81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 1 C Shift Assignments>> C :: 176.1 CA :: 61.47 CB :: 61.47 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.444 HA :: 4.263 HB2 :: 3.872 HB3 :: 3.872 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 117.1 Ave N Shift Values>> N :: 116.28(3.52) 1.L82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.89 R 0.09 G 0.01 HN Overlap>> 1.L68 1.L68 1.V40 1.V85 1.V40 1.V85 C Shift Assignments>> C :: 177.4 CA :: 55.06 CB :: 41.94 CG :: 26.76 CD1 :: 26.22 CD2 :: 23.34 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.929 HA :: 4.332 HB2 :: 1.653 HB3 :: 1.653 HG :: 1.514 HD11 :: 0.8396 HD12 :: 0.8396 HD13 :: 0.8396 HD21 :: 0.7069 HD22 :: 0.7069 HD23 :: 0.7069 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.4 Ave N Shift Values>> N :: 121.86(3.9) 1.H83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.31 W 0.16 R 0.11 K 0.1 E 0.09 Q 0.09 H 0.07 L 0.02 HN Overlap>> 1.K4 1.K4 1.E10 1.E10 C Shift Assignments>> C :: 176.1 CA :: 59.94 CB :: 28.05 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.014 HA :: 4.173 HB2 :: 3.344 HB3 :: 3.344 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 119.4 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.N84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.23 N 0.19 E 0.19 F 0.17 M 0.06 D 0.05 I 0.04 L 0.02 K 0.01 C Shift Assignments>> C :: 177.4 CA :: 55.79 CB :: 37.52 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.598 HA :: 4.735 HB2 :: 2.806 HB3 :: 2.806 HD21 :: 7.592 HD22 :: 6.941 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 118.1 ND2 :: 112.3 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.V85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.L68 1.L82 1.V40 1.L68 1.L82 1.V40 C Shift Assignments>> C :: 177.1 CA :: 65.49 CB :: 31.76 CG1 :: 22.45 CG2 :: 21.52 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.933 HA :: 3.849 HB :: 2.053 HG11 :: 0.9928 HG12 :: 0.9928 HG13 :: 0.9928 HG21 :: 0.8819 HG22 :: 0.8819 HG23 :: 0.8819 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 120.5 Ave N Shift Values>> N :: 121.14(4.54) 1.H86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.21 E 0.15 I 0.13 R 0.11 H 0.1 K 0.1 Q 0.09 V 0.04 M 0.02 HN Overlap>> 1.I71 1.I71 C Shift Assignments>> C :: 176.3 CA :: 59.86 CB :: 29.67 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.46 HA :: 4.054 HB2 :: 3.334 HB3 :: 3.085 HD2 :: 6.889 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 119.3 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.E87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.32 K 0.26 Q 0.25 I 0.12 R 0.03 HN Overlap>> 1.Q73 1.Q73 C Shift Assignments>> C :: 178.3 CA :: 58.69 CB :: 28.46 CG :: 35.1 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.897 HA :: 3.838 HB2 :: 2.019 HB3 :: 2.019 HG2 :: 2.252 HG3 :: 2.252 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 117.1 Ave N Shift Values>> N :: 120.67(3.48) 1.N88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.26 F 0.25 N 0.16 D 0.16 L 0.08 I 0.04 E 0.01 M 0.01 C Shift Assignments>> C :: 177.7 CA :: 55.99 CB :: 39.01 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.103 HA :: 4.503 HB2 :: 2.763 HB3 :: 2.866 HD21 :: 7.415 HD22 :: 6.98 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 118.4 ND2 :: 111.2 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.I89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 177 CA :: 65.39 CB :: 37.44 CG1 :: 29.15 CG2 :: 18.06 CD1 :: 14.35 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.501 HA :: 3.67 HB :: 1.843 HG12 :: 1.024 HG13 :: 1.024 HG21 :: 0.7787 HG22 :: 0.7787 HG23 :: 0.7787 HD11 :: 0.6992 HD12 :: 0.6992 HD13 :: 0.6992 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 118.7 Ave N Shift Values>> N :: 121.46(4.28) 1.K90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.91 R 0.07 C Shift Assignments>> C :: 178.8 CA :: 60.45 CB :: 32.11 CG :: 25.18 CD :: 29.52 CE :: 41.54 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.017 HA :: 3.775 HB2 :: 1.702 HB3 :: 1.702 HG2 :: 1.214 HG3 :: 1.331 HD2 :: 1.484 HD3 :: 1.484 HE2 :: 2.75 HE3 :: 2.75 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.9 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.31 K 0.27 Q 0.25 I 0.12 R 0.02 M 0.01 C Shift Assignments>> C :: 179.1 CA :: 59.12 CB :: 28.81 CG :: 34.99 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.732 HA :: 4.083 HB2 :: 2.134 HB3 :: 2.155 HG2 :: 2.436 HG3 :: 2.436 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.3 Ave N Shift Values>> N :: 120.67(3.48) 1.I92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 178 CA :: 65.9 CB :: 38.4 CG1 :: 27.85 CG2 :: 17.9 CD1 :: 14.28 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.11 HA :: 3.685 HB :: 1.852 HG12 :: 1.013 HG13 :: 1.013 HG21 :: 0.8681 HG22 :: 0.8681 HG23 :: 0.8681 HD11 :: 0.7045 HD12 :: 0.7045 HD13 :: 0.7045 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 121.1 Ave N Shift Values>> N :: 121.46(4.28) 1.F93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.55 Y 0.44 C Shift Assignments>> C :: 177.1 CA :: 61.02 CB :: 38.56 CD1 :: 130.3 CD2 :: 130.3 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.651 HA :: 3.873 HB2 :: 2.813 HB3 :: 3.023 HD1 :: 6.734 HD2 :: 6.734 HE1 :: 7.026 HE2 :: 7.026 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 119.4 Ave N Shift Values>> N :: 120.45(4.18) 1.H94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.17 W 0.14 Q 0.14 K 0.13 I 0.11 E 0.1 H 0.1 L 0.06 M 0.01 C Shift Assignments>> C :: 177.1 CA :: 58.31 CB :: 27.91 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.126 HA :: 4.368 HB2 :: 3.258 HB3 :: 3.258 HD2 :: 6.735 HE1 :: 7.098 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 116.4 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.H95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.17 Q 0.16 W 0.15 E 0.13 H 0.12 R 0.1 I 0.07 L 0.03 M 0.02 HN Overlap>> 1.E97 1.E97 1.H36 1.M61 1.H36 1.M61 C Shift Assignments>> C :: 177.3 CA :: 57.9 CB :: 28.49 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.058 HA :: 4.465 HB2 :: 3.288 HB3 :: 3.231 HD2 :: 7.2 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 117 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.L96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.84 R 0.14 C Shift Assignments>> C :: 178.3 CA :: 58.25 CB :: 41.72 CG :: 27.95 CD1 :: 25.43 CD2 :: 25.01 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.525 HA :: 3.865 HB2 :: 1.726 HB3 :: 1.515 HG :: 1.62 HD11 :: 0.6515 HD12 :: 0.6515 HD13 :: 0.6515 HD21 :: 0.7695 HD22 :: 0.7695 HD23 :: 0.7695 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 121.3 Ave N Shift Values>> N :: 121.86(3.9) 1.E97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 K 0.23 Q 0.2 I 0.15 M 0.01 R 0.01 HN Overlap>> 1.H95 1.H36 1.H95 1.H36 C Shift Assignments>> C :: 178.3 CA :: 59.3 CB :: 28.96 CG :: 35.24 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.076 HA :: 3.719 HB2 :: 1.994 HB3 :: 1.88 HG2 :: 2.107 HG3 :: 2.107 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 117.1 Ave N Shift Values>> N :: 120.67(3.48) 1.E98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.35 K 0.26 Q 0.26 I 0.06 M 0.03 R 0.01 C Shift Assignments>> C :: 177.9 CA :: 58.19 CB :: 29.12 CG :: 35.11 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.329 HA :: 4.024 HB2 :: 2.12 HB3 :: 2.027 HG2 :: 2.348 HG3 :: 2.23 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 116 Ave N Shift Values>> N :: 120.67(3.48) 1.L99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.78 R 0.14 G 0.06 C Shift Assignments>> C :: 178.1 CA :: 56.44 CB :: 43.01 CG :: 26.75 CD1 :: 25.72 CD2 :: 23.22 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.535 HA :: 4.183 HB2 :: 1.788 HB3 :: 1.502 HG :: 1.705 HD11 :: 0.7268 HD12 :: 0.7268 HD13 :: 0.7268 HD21 :: 0.7777 HD22 :: 0.7777 HD23 :: 0.7777 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 118.2 Ave N Shift Values>> N :: 121.86(3.9) 1.V100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 175.4 CA :: 62.43 CB :: 32.05 CG1 :: 21.22 CG2 :: 20.53 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.561 HA :: 4.033 HB :: 2.044 HG11 :: 0.6971 HG12 :: 0.6971 HG13 :: 0.6971 HG21 :: 0.7888 HG22 :: 0.7888 HG23 :: 0.7888 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 114.8 Ave N Shift Values>> N :: 121.14(4.54) 1.H101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.19 K 0.17 H 0.16 W 0.13 E 0.12 R 0.11 M 0.04 L 0.03 I 0.01 HN Overlap>> 1.K32 1.K32 C Shift Assignments>> C :: 173.5 CA :: 55.41 CB :: 28.87 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 7.827 HA :: 4.63 HB2 :: 3.283 HB3 :: 3.183 HD2 :: 7.267 HE1 :: 7.424 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 120.3 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.R102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.76 G 0.13 K 0.09 C Shift Assignments>> C :: 180.8 CA :: 57.57 CB :: 31.24 CG :: 27.25 CD :: 43.54 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.987 HA :: 4.122 HB2 :: 1.827 HB3 :: 1.696 HG2 :: 1.593 HG3 :: 1.593 HD2 :: 3.154 HD3 :: 3.154 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 127.3 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) ########################################################################### Overall Results: #Consistent: 102 #Clerical: 0 #Suspicious: 0 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 102 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 102 #Suspicious: 0 C Shift Results: #Consistent: 414 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 719 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 N Shift Results: #Consistent: 121 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0