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.N2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 173.7 CA :: 58.67 CB :: 63.71 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> HA :: 4.418 HB2 :: 3.754 HB3 :: 3.754 HG :: 2.954 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) 1.Q4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.2 R 0.19 E 0.17 Q 0.16 C 0.15 K 0.08 C Shift Assignments>> C :: 175.3 CA :: 56.21 CB :: 30.38 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 :: 8.366 HA :: 4.64 HB2 :: 2.054 HB3 :: 1.988 HG2 :: 2.257 HG3 :: 2.257 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 :: 121.927 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.I5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.56 C 0.42 C Shift Assignments>> C :: 173.4 CA :: 59.21 CB :: 39.44 CG1 :: 27.84 CG2 :: 17.75 CD1 :: 12.66 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.755 HA :: 4.172 HB :: 1.506 HG12 :: 1.069 HG13 :: 1.069 HG21 :: 0.2712 HG22 :: 0.2712 HG23 :: 0.2712 HD11 :: 0.6151 HD12 :: 0.6151 HD13 :: 0.6151 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 :: 120.196 Ave N Shift Values>> N :: 121.46(4.28) 1.H6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.24 C 0.21 Q 0.17 R 0.14 H 0.14 E 0.05 V 0.01 C Shift Assignments>> C :: 174.1 CA :: 55.15 CB :: 32.72 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 :: 7.992 HA :: 5.222 HB2 :: 2.933 HB3 :: 2.777 HD2 :: 6.782 HE1 :: 7.606 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 :: 125.523 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.Y7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.33 R 0.26 D 0.15 K 0.05 G 0.05 F 0.04 C 0.04 Y 0.02 N 0.01 C Shift Assignments>> C :: 174.7 CA :: 54.43 CB :: 43.26 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 :: 8.553 HA :: 5.212 HB2 :: 3.055 HB3 :: 2.201 HD1 :: 6.701 HD2 :: 6.701 HE1 :: 6.369 HE2 :: 6.369 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 :: 122.345 Ave N Shift Values>> N :: 120.52(4.2) 1.S8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.5 CA :: 57.36 CB :: 64.33 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.568 HA :: 5.333 HB2 :: 3.704 HB3 :: 3.577 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 :: 114.409 Ave N Shift Values>> N :: 116.28(3.52) 1.I9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.41 C 0.4 A 0.14 G 0.01 I 0.01 HN Overlap>> 1.I78 1.I78 C Shift Assignments>> C :: 171.9 CA :: 56.97 CB :: 42.01 CG2 :: 20.87 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 :: 8.966 HA :: 4.943 HB :: 1.702 HG21 :: 0.811 HG22 :: 0.811 HG23 :: 0.811 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 :: 122.5 Ave N Shift Values>> N :: 121.46(4.28) 1.P10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.32 P 0.28 C 0.23 I 0.04 R 0.03 E 0.02 H 0.02 K 0.02 C Shift Assignments>> C :: 176.1 CA :: 62.06 CB :: 31.32 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.624 HB2 :: 2.035 HB3 :: 1.994 HD2 :: 3.654 HD3 :: 3.654 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.E11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.2 K 0.18 H 0.16 C 0.13 E 0.13 R 0.11 L 0.03 I 0.01 C Shift Assignments>> CA :: 55.91 CB :: 28.81 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 :: 7.97 HA :: 4.118 HB2 :: 1.661 HB3 :: 1.514 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 :: 115.127 Ave N Shift Values>> N :: 120.67(3.48) 1.E12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> K 0.38 L 0.35 C 0.14 R 0.05 Q 0.02 I 0.01 H 0.01 C Shift Assignments>> C :: 176.2 CA :: 56.52 CB :: 24.79 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>> HA :: 4.098 HB2 :: 1.99 HB3 :: 1.99 HG2 :: 2.305 HG3 :: 2.305 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) 1.A13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.97 C 0.01 C Shift Assignments>> C :: 177.8 CA :: 52.04 CB :: 19.07 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.236 HA :: 4.187 HB1 :: 1.444 HB2 :: 1.444 HB3 :: 1.444 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.508 Ave N Shift Values>> N :: 123.23(3.54) 1.K14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.25 Q 0.24 C 0.22 R 0.1 H 0.1 E 0.04 V 0.02 HN Overlap>> 1.V60 1.V60 C Shift Assignments>> CA :: 55.97 CB :: 33.17 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 :: 8.421 HA :: 4.209 HB2 :: 1.758 HB3 :: 1.758 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 :: 119.673 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.H15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.25 E 0.16 R 0.12 H 0.11 Q 0.09 I 0.08 K 0.08 V 0.06 C Shift Assignments>> C :: 176.7 CA :: 59.7 CB :: 30.09 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>> HA :: 3.832 HB2 :: 3.069 HB3 :: 2.898 HD2 :: 6.849 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) 1.G16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.54 L 0.22 R 0.1 C 0.04 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> C :: 174.5 CA :: 44.56 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.144 HA2 :: 4.2 HA3 :: 3.177 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 114.582 Ave N Shift Values>> N :: 109.67(3.87) 1.T17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 173.4 CA :: 65.64 CB :: 69.46 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.724 HA :: 3.922 HB :: 3.787 HG21 :: 1.305 HG22 :: 1.305 HG23 :: 1.305 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 118.048 Ave N Shift Values>> N :: 115.42(4.75) 1.F18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.29 Y 0.27 I 0.22 C 0.15 L 0.02 D 0.01 K 0.01 C Shift Assignments>> C :: 173.7 CA :: 59.73 CB :: 40 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 :: 8.719 HA :: 3.946 HB2 :: 3.204 HB3 :: 2.882 HD1 :: 7.092 HD2 :: 7.092 HE1 :: 7.132 HE2 :: 7.132 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 :: 129.003 Ave N Shift Values>> N :: 120.45(4.18) 1.V19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.7 C 0.29 C Shift Assignments>> C :: 174.5 CA :: 62.95 CB :: 32.41 CG1 :: 22.45 CG2 :: 22.21 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.122 HA :: 3.769 HB :: 1.149 HG11 :: 0.358 HG12 :: 0.358 HG13 :: 0.358 HG21 :: 0.617 HG22 :: 0.617 HG23 :: 0.617 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 :: 124.75 Ave N Shift Values>> N :: 121.14(4.54) 1.G20 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.87 L 0.07 C 0.03 C Shift Assignments>> C :: 172.1 CA :: 45.89 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 6.267 HA2 :: 3.321 HA3 :: 2.564(S) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 99.9 Ave N Shift Values>> N :: 109.67(3.87) 1.R21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.29 Q 0.18 C 0.16 H 0.12 K 0.09 E 0.06 R 0.05 I 0.02 HN Overlap>> 1.F59 1.F59 C Shift Assignments>> C :: 174.7 CA :: 55.25 CB :: 27.43 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 9.282 HA :: 4.414 HB2 :: 2.016 HB3 :: 1.877 HG2 :: 1.626 HG3 :: 1.626 HD2 :: 3.23 HD3 :: 3.23 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 :: 125.336 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.I22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.74 C 0.25 C Shift Assignments>> C :: 174.9 CA :: 62.86 CB :: 38.52 CG2 :: 17.95 CD1 :: 15.77 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 6.83 HA :: 4.422 HB :: 1.534 HG12 :: 1.069 HG13 :: 1.069 HG21 :: 0.875 HG22 :: 0.875 HG23 :: 0.875 HD11 :: 0.848 HD12 :: 0.848 HD13 :: 0.848 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 :: 121.657 Ave N Shift Values>> N :: 121.46(4.28) 1.A23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.68 I 0.17 C 0.09 V 0.02 C Shift Assignments>> C :: 178.3 CA :: 55.95 CB :: 18.37 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.327 HA :: 3.721 HB1 :: 1.072 HB2 :: 1.072 HB3 :: 1.072 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.489 Ave N Shift Values>> N :: 123.23(3.54) 1.Q24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.21 K 0.15 I 0.14 E 0.13 Q 0.12 H 0.1 R 0.08 L 0.01 V 0.01 C Shift Assignments>> C :: 180.6 CA :: 59.13 CB :: 28.66 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 :: 8.521 HA :: 3.948 HB2 :: 2.006 HB3 :: 2.006 HG2 :: 2.261 HG3 :: 2.261 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 :: 118.021 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.D25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.27 F 0.27 C 0.14 D 0.1 L 0.07 I 0.06 N 0.04 C Shift Assignments>> C :: 177.8 CA :: 57.03 CB :: 39.45 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 :: 8.848 HA :: 4.405 HB2 :: 2.647 HB3 :: 2.51 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 :: 120.737 Ave N Shift Values>> N :: 120.65(3.86) 1.L26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.54 C 0.27 A 0.16 G 0.01 C Shift Assignments>> C :: 176.6 CA :: 54.52 CB :: 42.02 CD1 :: 26.32 CD2 :: 22.12 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 :: 7.36 HA :: 4.036 HB2 :: 1.433 HB3 :: 0.65 HG :: 1.571 HD11 :: 0.297 HD12 :: 0.297 HD13 :: 0.297 HD21 :: 0.262 HD22 :: 0.262 HD23 :: 0.262 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 :: 118.123 Ave N Shift Values>> N :: 121.86(3.9) 1.G27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 L 0.07 C 0.03 C Shift Assignments>> C :: 174.5 CA :: 45.78 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.739 HA2 :: 3.941 HA3 :: 3.671 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.959 Ave N Shift Values>> N :: 109.67(3.87) 1.L28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.54 C 0.24 G 0.1 K 0.07 A 0.02 C Shift Assignments>> C :: 176.3 CA :: 53.4 CB :: 43.1 CD1 :: 26.99 CD2 :: 23.93 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 :: 7.965 HA :: 4.36 HB2 :: 1.299 HB3 :: 1.001 HD11 :: 0.603 HD12 :: 0.603 HD13 :: 0.603 HD21 :: 0.727 HD22 :: 0.727 HD23 :: 0.727 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 :: 120.913 Ave N Shift Values>> N :: 121.86(3.9) 1.E29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.22 R 0.21 C 0.16 Q 0.15 E 0.14 K 0.08 C Shift Assignments>> C :: 178.6 CA :: 54.97 CB :: 30.6 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.073 HA :: 4.207 HB2 :: 2.002 HB3 :: 1.76 HG2 :: 2.236 HG3 :: 2.236 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.791 Ave N Shift Values>> N :: 120.67(3.48) 1.L30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.58 C 0.4 C Shift Assignments>> CA :: 57.95 CB :: 40.75 CD1 :: 25.05 CD2 :: 22.88 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 :: 8.678 HA :: 3.674 HB2 :: 1.66 HB3 :: 1.429 HD11 :: 0.776 HD12 :: 0.776 HD13 :: 0.776 HD21 :: 0.528 HD22 :: 0.528 HD23 :: 0.528 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.729 Ave N Shift Values>> N :: 121.86(3.9) 1.T31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.6 CA :: 63.21 CB :: 68.74 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.583 HA :: 4.001 HB :: 4.261 HG1 :: 4.18 HG21 :: 1.237 HG22 :: 1.237 HG23 :: 1.237 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 105.3 Ave N Shift Values>> N :: 115.42(4.75) 1.E32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.2 H 0.19 C 0.18 K 0.17 E 0.12 Q 0.1 V 0.01 C Shift Assignments>> C :: 176.4 CA :: 55.85 CB :: 31.56 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 :: 7.53 HA :: 4.534 HB2 :: 2.195 HB3 :: 1.897 HG2 :: 2.486 HG3 :: 2.486 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 :: 118.008 Ave N Shift Values>> N :: 120.67(3.48) 1.L33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.68 L 0.29 I 0.01 C Shift Assignments>> C :: 177.7 CA :: 59.1 CB :: 40.22 CD1 :: 25.45 CD2 :: 21.79 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 :: 7.041 HA :: 3.745 HB2 :: 1.902 HB3 :: 1.119 HD11 :: 0.424 HD12 :: 0.424 HD13 :: 0.424 HD21 :: 0.045 HD22 :: 0.045 HD23 :: 0.045 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 117.3 Ave N Shift Values>> N :: 121.86(3.9) 1.V34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.67 C 0.32 C Shift Assignments>> C :: 178.7 CA :: 67.67 CB :: 29.08 CG1 :: 21.22 CG2 :: 23.93 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 :: 8.699 HA :: 4.059 HB :: 2.192 HG11 :: 0.895 HG12 :: 0.895 HG13 :: 0.895 HG21 :: 1.01 HG22 :: 1.01 HG23 :: 1.01 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 :: 116.222 Ave N Shift Values>> N :: 121.14(4.54) 1.P35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.51 P 0.31 C 0.11 I 0.05 C Shift Assignments>> C :: 177.7 CA :: 65.89 CB :: 31.17 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.338 HB2 :: 2.322 HB3 :: 1.861 HG2 :: 2.029 HG3 :: 2.029 HD2 :: 3.573 HD3 :: 3.573 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.R36 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> Q 0.17 H 0.17 E 0.16 K 0.15 R 0.15 C 0.14 I 0.01 C Shift Assignments>> C :: 173.9 CA :: 56.62 CB :: 29.58 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 :: 7.35 HA :: 4.187 HB2 :: 2.825(S) HB3 :: 1.666 HG2 :: 2.204 HG3 :: 2.204 HD2 :: 3.498 HD3 :: 3.498 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 :: 112.348 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.L37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 L 0.41 A 0.02 C Shift Assignments>> C :: 175.6 CA :: 55.31 CB :: 38.39 CD1 :: 25.86 CD2 :: 23.93 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 :: 8.018 HA :: 3.969 HB2 :: 1.884 HB3 :: 1.544 HD11 :: 0.853 HD12 :: 0.853 HD13 :: 0.853 HD21 :: 0.866 HD22 :: 0.866 HD23 :: 0.866 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 :: 116.494 Ave N Shift Values>> N :: 121.86(3.9) 1.F38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.29 Y 0.25 C 0.12 I 0.12 K 0.07 L 0.06 D 0.03 C Shift Assignments>> C :: 175.7 CA :: 58.99 CB :: 40.71 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 7.991 HA :: 4.757 HB2 :: 2.772 HB3 :: 2.772 HD1 :: 6.884 HD2 :: 6.884 HE1 :: 6.753 HE2 :: 6.753 HZ :: 6.656 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 :: 116.763 Ave N Shift Values>> N :: 120.45(4.18) 1.R39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.21 R 0.2 H 0.2 K 0.19 E 0.09 Q 0.08 C Shift Assignments>> C :: 172.7 CA :: 54.6 CB :: 31.91 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.434 HA :: 4.476 HB2 :: 1.7 HB3 :: 1.7 HG2 :: 1.195 HG3 :: 1.195 HD2 :: 3.052 HD3 :: 3.052 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 :: 125.096 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.V40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.59 V 0.4 C Shift Assignments>> C :: 175.2 CA :: 59.5 CB :: 34.19 CG1 :: 22.81 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 :: 8.389 HA :: 4.856 HB :: 1.774 HG11 :: 0.662 HG12 :: 0.662 HG13 :: 0.662 HG21 :: 0.622 HG22 :: 0.622 HG23 :: 0.622 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 :: 115.667 Ave N Shift Values>> N :: 121.14(4.54) 1.A41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.67 L 0.22 C 0.08 C Shift Assignments>> C :: 176.2 CA :: 51.36 CB :: 21.94 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.025 HA :: 4.621 HB1 :: 1.288 HB2 :: 1.288 HB3 :: 1.288 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 128.055 Ave N Shift Values>> N :: 123.23(3.54) 1.S42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 57.13 CB :: 64.64 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.49 HA :: 4.747 HB2 :: 3.813 HB3 :: 3.649 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.792 Ave N Shift Values>> N :: 116.28(3.52) 1.K43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.23 K 0.23 R 0.14 H 0.12 Q 0.11 E 0.08 V 0.05 C Shift Assignments>> CA :: 57.53 CB :: 32.46 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>> HA :: 4.209 HB2 :: 1.804 HB3 :: 1.574 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) 1.D44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.25 L 0.24 K 0.16 F 0.1 Y 0.07 C 0.05 N 0.05 R 0.03 C Shift Assignments>> C :: 176 CA :: 55.05 CB :: 41.47 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 :: 8.393 HA :: 4.606 HB2 :: 2.642 HB3 :: 2.593 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 118.279 Ave N Shift Values>> N :: 120.65(3.86) 1.R45 Overall: Anomalous Typing: Suspicious SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.24 H 0.23 C 0.17 Q 0.15 K 0.07 I 0.04 V 0.03 P 0.03 C Shift Assignments>> C :: 55.51(A) CA :: 30.08(A) Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.138 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 118.363 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.G46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.87 L 0.07 C 0.03 C Shift Assignments>> C :: 174 CA :: 45.81 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> HA2 :: 3.875 HA3 :: 3.875 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) 1.D47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.32 D 0.27 L 0.1 F 0.1 Y 0.09 C 0.08 C Shift Assignments>> C :: 176.5 CA :: 53.95 CB :: 39.68 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 :: 8.449 HA :: 4.619 HB2 :: 2.614 HB3 :: 2.614 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 118.617 Ave N Shift Values>> N :: 120.65(3.86) 1.L48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 L 0.34 K 0.14 G 0.01 C Shift Assignments>> C :: 176.7 CA :: 57.57 CB :: 42.21 CD1 :: 27.16 CD2 :: 22.88 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 :: 7.679 HA :: 3.92 HB2 :: 1.624 HB3 :: 1.264 HD11 :: 0.863 HD12 :: 0.863 HD13 :: 0.863 HD21 :: 0.734 HD22 :: 0.734 HD23 :: 0.734 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 :: 119.153 Ave N Shift Values>> N :: 121.86(3.9) 1.L49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 C 0.13 L 0.03 C Shift Assignments>> C :: 174.2 CA :: 52.54 CB :: 45.36 CD1 :: 27.85 CD2 :: 25.86 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 :: 7.705 HA :: 4.747 HB2 :: 1.396 HB3 :: 1.04 HD11 :: 0.693 HD12 :: 0.693 HD13 :: 0.693 HD21 :: 0.645 HD22 :: 0.645 HD23 :: 0.645 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 :: 116.159 Ave N Shift Values>> N :: 121.86(3.9) 1.E50 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.35 Q 0.27 K 0.18 N 0.06 H 0.04 R 0.03 Y 0.01 C Shift Assignments>> C :: 172.3 CA :: 53.46 CB :: 34.64 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 :: 7.974 HA :: 4.411 HB2 :: 1.206(S) HB3 :: 0.8773(S) HG2 :: 2.217 HG3 :: 2.038 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 :: 120.777 Ave N Shift Values>> N :: 120.67(3.48) 1.V51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.59 V 0.4 C Shift Assignments>> C :: 175.1 CA :: 59.18 CB :: 34.6 CG1 :: 21.32 CG2 :: 22.05 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 :: 9.17 HA :: 5.12 HB :: 1.763 HG11 :: 0.563 HG12 :: 0.563 HG13 :: 0.563 HG21 :: 0.703 HG22 :: 0.703 HG23 :: 0.703 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 :: 119.362 Ave N Shift Values>> N :: 121.14(4.54) 1.N52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.62 D 0.16 C 0.08 F 0.04 Y 0.04 L 0.03 HN Overlap>> 1.V82 1.V82 C Shift Assignments>> C :: 176.2 CA :: 51.96 CB :: 38.84 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 :: 8.841 HA :: 4.945 HB2 :: 3.798 HB3 :: 2.625 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 :: 125.275 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.6 C 0.33 K 0.05 HN Overlap>> 1.H79 1.H79 C Shift Assignments>> C :: 176.8 CA :: 56.76 CB :: 41.39 CD1 :: 25.94 CD2 :: 24.33 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 :: 9.017 HA :: 3.832 HB2 :: 1.702 HB3 :: 1.475 HD11 :: 0.965 HD12 :: 0.965 HD13 :: 0.965 HD21 :: 0.789 HD22 :: 0.789 HD23 :: 0.789 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 :: 126.604 Ave N Shift Values>> N :: 121.86(3.9) 1.Q54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.18 C 0.17 Q 0.16 E 0.14 H 0.12 R 0.09 I 0.07 L 0.02 C Shift Assignments>> C :: 177.3 CA :: 57.93 CB :: 28.61 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 :: 8.381 HA :: 4.073 HB2 :: 2.096 HB3 :: 2.008 HG2 :: 2.323 HG3 :: 2.323 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 115.243 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.N55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.57 D 0.21 C 0.07 L 0.05 F 0.04 Y 0.03 C Shift Assignments>> C :: 176.4 CA :: 51.83 CB :: 39.32 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 :: 7.216 HA :: 4.673 HB2 :: 2.949 HB3 :: 2.595 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 :: 111.471 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.G56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 C 0.05 L 0.05 C Shift Assignments>> C :: 174 CA :: 46.89 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.411 HA2 :: 3.757 HA3 :: 3.081 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.602 Ave N Shift Values>> N :: 109.67(3.87) 1.I57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.74 C 0.25 C Shift Assignments>> C :: 174.8 CA :: 61.28 CB :: 39.64 CG2 :: 18.48 CD1 :: 13.49 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.765 HA :: 4.492 HB :: 1.947 HG12 :: 1.477 HG13 :: 1.038 HG21 :: 0.776 HG22 :: 0.776 HG23 :: 0.776 HD11 :: 0.857 HD12 :: 0.857 HD13 :: 0.857 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 :: 118.809 Ave N Shift Values>> N :: 121.46(4.28) 1.L58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.56 C 0.21 L 0.19 R 0.01 A 0.01 C Shift Assignments>> C :: 174.1 CA :: 53.12 CB :: 44.49 CD1 :: 24.57 CD2 :: 27.25 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 :: 8.657 HA :: 4.884 HB2 :: 1.559 HB3 :: 0.945 HD11 :: 0.531 HD12 :: 0.531 HD13 :: 0.531 HD21 :: 0.483 HD22 :: 0.483 HD23 :: 0.483 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 :: 127.405 Ave N Shift Values>> N :: 121.86(3.9) 1.F59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.33 R 0.3 G 0.1 D 0.08 C 0.05 F 0.05 Y 0.03 K 0.02 HN Overlap>> 1.R21 1.R21 C Shift Assignments>> C :: 173.4 CA :: 55.38 CB :: 43.74 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 :: 9.347 HA :: 5.415 HB2 :: 2.61 HB3 :: 2.61 HD1 :: 6.965 HD2 :: 6.965 HE1 :: 7.056 HE2 :: 7.056 HZ :: 7.173 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 :: 125.313 Ave N Shift Values>> N :: 120.45(4.18) 1.V60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.78 C 0.21 HN Overlap>> 1.K14 1.K14 C Shift Assignments>> C :: 174.7 CA :: 64.46 CB :: 32.73 CG1 :: 22.68 CG2 :: 22.88 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 :: 8.427 HA :: 3.659 HB :: 1.952 HG11 :: 0.935 HG12 :: 0.935 HG13 :: 0.935 HG21 :: 0.724 HG22 :: 0.724 HG23 :: 0.724 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 :: 119.673 Ave N Shift Values>> N :: 121.14(4.54) 1.N61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.34 L 0.26 K 0.1 N 0.09 R 0.05 F 0.04 C 0.04 Y 0.03 HN Overlap>> 1.Q89 1.Q89 C Shift Assignments>> C :: 174 CA :: 52.67 CB :: 41.96 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 :: 9.013 HA :: 5.082 HB2 :: 2.482 HB3 :: 1.778 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 :: 128.862 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.S62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 171.8 CA :: 56.66 CB :: 64.98 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.582 HA :: 4.507 HB2 :: 3.708 HB3 :: 3.59 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 :: 113.115 Ave N Shift Values>> N :: 116.28(3.52) 1.R63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.18 C 0.17 H 0.17 R 0.17 Q 0.15 K 0.1 I 0.02 V 0.01 C Shift Assignments>> C :: 176.1 CA :: 57.63 CB :: 30.1 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 :: 7.91 HA :: 4.185 HB2 :: 1.768 HB3 :: 1.657 HG2 :: 1.138 HG3 :: 1.138 HD2 :: 3.082 HD3 :: 3.082 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 :: 119.51 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.I64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.33 Y 0.22 C 0.21 F 0.17 E 0.04 C Shift Assignments>> C :: 173.5 CA :: 60.28 CB :: 37.96 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 :: 8.985 HA :: 3.899 HB :: 1.953 HG21 :: 0.858 HG22 :: 0.858 HG23 :: 0.858 HD11 :: 0.683 HD12 :: 0.683 HD13 :: 0.683 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 :: 130.667 Ave N Shift Values>> N :: 121.46(4.28) 1.D65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> D 0.38 N 0.26 L 0.17 C 0.05 F 0.04 K 0.04 Y 0.02 C Shift Assignments>> CA :: 51.48 CB :: 41.15 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>> HA :: 5.077 HB2 :: 2.823 HB3 :: 2.522 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) 1.R66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 V 0.19 K 0.11 R 0.11 E 0.09 H 0.08 Q 0.03 P 0.02 I 0.01 C Shift Assignments>> CA :: 59.92 CB :: 31.75 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.812 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 :: 126.988 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.E67 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.E68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.19 E 0.18 R 0.14 H 0.14 Q 0.13 K 0.11 I 0.04 V 0.02 C Shift Assignments>> C :: 178 CA :: 58.51 CB :: 29.92 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>> HA :: 4.018 HB2 :: 2.267 HB3 :: 2.076 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) 1.L69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 L 0.37 G 0.2 C Shift Assignments>> C :: 180.3 CA :: 57.86 CB :: 43.93 CD1 :: 26.42 CD2 :: 23.53 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 :: 7.749 HA :: 4.065 HB2 :: 1.602 HB3 :: 1.555 HG :: 1.817 HD11 :: 0.712 HD12 :: 0.712 HD13 :: 0.712 HD21 :: 0.77 HD22 :: 0.77 HD23 :: 0.77 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 :: 116.56 Ave N Shift Values>> N :: 121.86(3.9) 1.C70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 G 0.37 L 0.08 C Shift Assignments>> C :: 174.7 CA :: 54.59 CB :: 48.84 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.591 HA :: 4.598 HB2 :: 4.072 HB3 :: 2.639 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 112.266 Ave N Shift Values>> N :: 120.17(4.64) 1.G71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.84 C 0.07 L 0.04 A 0.01 C Shift Assignments>> CA :: 47.24 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.933 HA2 :: 3.957 HA3 :: 3.864 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 113.21 Ave N Shift Values>> N :: 109.67(3.87) 1.R72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> Q 0.2 H 0.18 K 0.17 C 0.15 R 0.12 E 0.09 L 0.05 C Shift Assignments>> C :: 176.5 CA :: 54.08 CB :: 28.86 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>> HA :: 4.447 HB2 :: 2.049 HB3 :: 1.564 HD2 :: 3.113 HD3 :: 3.113 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) 1.S73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 59.22 CB :: 64.19 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.749 HA :: 4.29 HB2 :: 4.015 HB3 :: 4.015 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.733 Ave N Shift Values>> N :: 116.28(3.52) 1.A74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> A 0.89 C 0.05 I 0.03 C Shift Assignments>> C :: 177.9 CA :: 54.82 CB :: 18.64 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> HA :: 4.078 HB1 :: 1.428 HB2 :: 1.428 HB3 :: 1.428 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) 1.E75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.21 H 0.2 C 0.19 K 0.16 E 0.1 Q 0.1 C Shift Assignments>> C :: 175 CA :: 54.79 CB :: 31.59 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 :: 7.926 HA :: 4.447 HB2 :: 2.127 HB3 :: 1.861 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 :: 115.758 Ave N Shift Values>> N :: 120.67(3.48) 1.C76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> N 0.29 C 0.19 Y 0.16 F 0.12 E 0.1 D 0.06 L 0.02 I 0.01 C Shift Assignments>> C :: 172.1 CA :: 54.99 CB :: 37.69 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> HA :: 4.974 HB2 :: 2.975 HB3 :: 2.665 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) 1.S77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.88 T 0.11 C Shift Assignments>> C :: 172.7 CA :: 56.78 CB :: 66.5 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.599 HA :: 5.321 HB2 :: 3.521 HB3 :: 3.391 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 :: 123.899 Ave N Shift Values>> N :: 116.28(3.52) 1.I78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.68 C 0.31 HN Overlap>> 1.I9 1.I9 C Shift Assignments>> C :: 174.6 CA :: 60.31 CB :: 40.81 CG2 :: 17.78 CD1 :: 14.92 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 :: 9.02 HA :: 4.13 HB :: 1.482 HG21 :: 0.728 HG22 :: 0.728 HG23 :: 0.728 HD11 :: 0.598 HD12 :: 0.598 HD13 :: 0.598 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 :: 122.463 Ave N Shift Values>> N :: 121.46(4.28) 1.H79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.2 H 0.19 C 0.18 K 0.17 E 0.12 Q 0.09 V 0.01 HN Overlap>> 1.L53 1.L53 C Shift Assignments>> C :: 174.9 CA :: 55.89 CB :: 31.6 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 :: 8.947 HA :: 4.993 HB2 :: 3.028 HB3 :: 2.961 HD2 :: 6.887 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 :: 126.644 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.L80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.59 L 0.24 C 0.14 C Shift Assignments>> C :: 175.6 CA :: 53.45 CB :: 45.08 CD1 :: 26.43 CD2 :: 24.39 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 :: 9.187 HA :: 4.899 HB2 :: 1.436 HB3 :: 1.259 HD11 :: 0.532 HD12 :: 0.532 HD13 :: 0.532 HD21 :: 0.596 HD22 :: 0.596 HD23 :: 0.596 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 124.472 Ave N Shift Values>> N :: 121.86(3.9) 1.E81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.21 C 0.21 R 0.19 H 0.18 E 0.09 Q 0.08 V 0.01 C Shift Assignments>> C :: 174.9 CA :: 55.11 CB :: 32.09 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 :: 8.752 HA :: 4.87 HB2 :: 1.791 HB3 :: 1.791 HG2 :: 2.024 HG3 :: 2.024 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 123.252 Ave N Shift Values>> N :: 120.67(3.48) 1.V82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.53 C 0.46 HN Overlap>> 1.N52 1.N52 C Shift Assignments>> C :: 173.9 CA :: 60.79 CB :: 33.37 CG1 :: 22.45 CG2 :: 22.02 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 :: 8.899 HA :: 4.471 HB :: 1.817 HG11 :: 0.379 HG12 :: 0.379 HG13 :: 0.379 HG21 :: 0.657 HG22 :: 0.657 HG23 :: 0.657 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 :: 125.247 Ave N Shift Values>> N :: 121.14(4.54) 1.I83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.59 C 0.38 G 0.01 C Shift Assignments>> C :: 174.7 CA :: 60.7 CB :: 41.78 CG2 :: 18.88 CD1 :: 14.93 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 :: 8.606 HA :: 4.877 HB :: 1.307 HG12 :: 0.8758 HG13 :: 0.8758 HG21 :: 0.681 HG22 :: 0.681 HG23 :: 0.681 HD11 :: 0.661 HD12 :: 0.661 HD13 :: 0.661 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 :: 126.942 Ave N Shift Values>> N :: 121.46(4.28) 1.V84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.94 V 0.03 I 0.01 C Shift Assignments>> C :: 172.9 CA :: 58.99 CB :: 36.27 CG1 :: 24.69 CG2 :: 21.22 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 :: 8.162 HA :: 4.553 HB :: 2.221 HG11 :: 1.034 HG12 :: 1.034 HG13 :: 1.034 HG21 :: 1.006 HG22 :: 1.006 HG23 :: 1.006 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 :: 116.685 Ave N Shift Values>> N :: 121.14(4.54) 1.D85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.08 C 0.02 D 0.01 C Shift Assignments>> C :: 176.7 CA :: 52.59 CB :: 45.34 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 9.177 HA :: 4.76 HB2 :: 2.466 HB3 :: 2.213 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 :: 119.736 Ave N Shift Values>> N :: 120.65(3.86) 1.R86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.19 K 0.18 H 0.14 C 0.14 E 0.12 R 0.1 L 0.06 I 0.02 C Shift Assignments>> C :: 173.6 CA :: 56.33 CB :: 28.46 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 9.024 HA :: 3.846 HB2 :: 1.831 HB3 :: 1.487 HD2 :: 3.174 HD3 :: 3.174 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 :: 112.946 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.P87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.46 C 0.31 I 0.12 P 0.04 Y 0.01 E 0.01 K 0.01 C Shift Assignments>> C :: 175.1 CA :: 62.98 CB :: 34.78 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.422 HB2 :: 2.063 HB3 :: 1.979 HD2 :: 3.272 HD3 :: 3.272 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.L88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.55 C 0.31 R 0.1 A 0.01 C Shift Assignments>> C :: 177.9 CA :: 55.42 CB :: 41.91 CG :: 27.41 CD1 :: 23.86 CD2 :: 26.06 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 :: 7.826 HA :: 5.209 HB2 :: 1.612 HB3 :: 1.467 HG :: 1.286 HD11 :: 0.799 HD12 :: 0.799 HD13 :: 0.799 HD21 :: 0.777 HD22 :: 0.777 HD23 :: 0.777 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 117.995 Ave N Shift Values>> N :: 121.86(3.9) 1.Q89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 K 0.28 E 0.15 H 0.06 R 0.05 Y 0.02 V 0.01 N 0.01 F 0.01 HN Overlap>> 1.N61 1.N61 C Shift Assignments>> C :: 172 CA :: 55.71 CB :: 34.47 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 9.02 HA :: 4.199 HB2 :: 1.634 HB3 :: 1.383 HG2 :: 1.978 HG3 :: 1.794 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 :: 128.862 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.V90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.52 C 0.47 C Shift Assignments>> C :: 175.3 CA :: 60.38 CB :: 34.23 CG1 :: 21.32 CG2 :: 21.11 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 :: 7.515 HA :: 4.734 HB :: 1.603 HG11 :: 0.563 HG12 :: 0.563 HG13 :: 0.563 HG21 :: 0.72 HG22 :: 0.72 HG23 :: 0.72 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 :: 119.457 Ave N Shift Values>> N :: 121.14(4.54) 1.F91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.28 R 0.17 D 0.16 K 0.16 F 0.07 Y 0.05 C 0.04 N 0.01 C Shift Assignments>> C :: 174.2 CA :: 55.26 CB :: 42.5 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 :: 9.461 HA :: 4.905 HB2 :: 2.942 HB3 :: 2.529 HD1 :: 7.039 HD2 :: 7.039 HE1 :: 7.114 HE2 :: 7.114 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 :: 126.13 Ave N Shift Values>> N :: 120.45(4.18) 1.H92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.25 C 0.21 Q 0.17 R 0.13 H 0.12 E 0.06 V 0.02 C Shift Assignments>> C :: 174.5 CA :: 56.26 CB :: 32.78 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 :: 8.788 HA :: 5.147 HB2 :: 3.079 HB3 :: 2.955 HD2 :: 6.937 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 121.206 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.V93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.64 V 0.34 C Shift Assignments>> C :: 173.2 CA :: 60.35 CB :: 35.49 CG2 :: 21.58 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 :: 8.619 HA :: 4.508 HB :: 1.706 HG21 :: 0.684 HG22 :: 0.684 HG23 :: 0.684 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 :: 124.282 Ave N Shift Values>> N :: 121.14(4.54) 1.E94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.22 K 0.22 R 0.17 H 0.17 Q 0.12 E 0.06 C Shift Assignments>> C :: 174.3 CA :: 54.46 CB :: 32.39 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 :: 8.302 HA :: 4.786 HB2 :: 1.783 HB3 :: 1.674 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 :: 127.527 Ave N Shift Values>> N :: 120.67(3.48) 1.V95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.5 C 0.48 C Shift Assignments>> C :: 174.9 CA :: 60.17 CB :: 32.66 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 :: 8.938 HA :: 4.32 HB :: 1.921 HG21 :: 0.623 HG22 :: 0.623 HG23 :: 0.623 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 :: 125.139 Ave N Shift Values>> N :: 121.14(4.54) 1.E96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.2 H 0.19 C 0.17 E 0.15 Q 0.12 K 0.12 V 0.01 C Shift Assignments>> C :: 174.6 CA :: 56.34 CB :: 31.01 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.002 HA :: 4.424 HB2 :: 2.082 HB3 :: 2.021 HG2 :: 2.257 HG3 :: 2.257 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 :: 130.215 Ave N Shift Values>> N :: 120.67(3.48) 1.V97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.53 C 0.46 C Shift Assignments>> C :: 176.9 CA :: 60.72 CB :: 32.6 CG1 :: 22.51 CG2 :: 20.66 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 :: 8.417 HA :: 4.536 HB :: 1.554 HG11 :: 0.562 HG12 :: 0.562 HG13 :: 0.562 HG21 :: 0.637 HG22 :: 0.637 HG23 :: 0.637 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 :: 126.193 Ave N Shift Values>> N :: 121.14(4.54) 1.R98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.2 H 0.2 C 0.16 E 0.15 Q 0.13 K 0.12 V 0.01 C Shift Assignments>> C :: 175.9 CA :: 56.06 CB :: 31 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 9.441 HA :: 4.298 HB2 :: 1.725 HB3 :: 1.533 HG2 :: 1.248 HG3 :: 1.248 HD2 :: 3.057 HD3 :: 3.057 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 :: 129.13 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.D99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.26 K 0.19 D 0.17 R 0.13 F 0.08 Y 0.06 C 0.04 N 0.01 C Shift Assignments>> C :: 176.6 CA :: 55.42 CB :: 42.25 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 :: 8.883 HA :: 4.45 HB2 :: 2.467 HB3 :: 2.266 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 :: 121.934 Ave N Shift Values>> N :: 120.65(3.86) 1.I100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.29 Y 0.28 I 0.21 C 0.14 L 0.02 D 0.01 K 0.01 C Shift Assignments>> C :: 177.2 CA :: 59.62 CB :: 40.03 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 :: 8.986 HA :: 4.657 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 :: 120.276 Ave N Shift Values>> N :: 121.46(4.28) 1.N101 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.23 T 0.18 V 0.17 C 0.1 S 0.06 F 0.06 Y 0.06 P 0.04 E 0.01 R 0.01 K 0.01 H 0.01 C Shift Assignments>> CA :: 61.18(S) 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 :: 7.677 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>> ND2 :: 114.997 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.D102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> N 0.42 D 0.27 L 0.09 C 0.07 F 0.06 Y 0.06 C Shift Assignments>> C :: 174.7 CA :: 52.89 CB :: 39.7 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>> HA :: 4.516 HB2 :: 2.784 HB3 :: 2.417 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) 1.N103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.28 L 0.16 N 0.15 F 0.14 Y 0.12 C 0.08 K 0.02 I 0.01 C Shift Assignments>> CA :: 54.95 CB :: 40.24 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 :: 7.891 HA :: 4.377 HB2 :: 2.729 HB3 :: 2.616 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 :: 123.427 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) ########################################################################### Overall Results: #Consistent: 98 #Clerical: 0 #Suspicious: 3 #Anomalous: 1 #Mistyped: 1 #Indeterminable: 0 Typing Results: #Consistent: 98 #Suspicious: 1 #Mistyped: 1 #Indeterminable: 3 Shift Relative Order (SRO) Results: #Consistent: 103 #Suspicious: 0 C Shift Results: #Consistent: 335 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 2 H Shift Results: #Consistent: 618 #Duplicate: 0 #Unknown: 0 #Suspicious: 4 #Anomalous: 0 N Shift Results: #Consistent: 86 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.G20 HA3 = 2.564(S), Expected = 3.90, Std = 0.3700, ChiSquare = 3.0524e-04 1.R36 HB2 = 2.825(S), Expected = 1.79, Std = 0.2700, ChiSquare = 1.2642e-04 1.R45 Typing: Suspicious 1.R45 C = 55.51(A), Expected = 176.41, Std = 2.0300, ChiSquare = 0.0000e+00 1.R45 CA = 30.08(A), Expected = 56.77, Std = 2.3100, ChiSquare = 7.0371e-31 1.E50 HB2 = 1.206(S), Expected = 2.02, Std = 0.2100, ChiSquare = 1.0610e-04 1.E50 HB3 = 0.8773(S), Expected = 1.99, Std = 0.2300, ChiSquare = 1.3127e-06 1.N101 Typing: Mistyped 1.N101 CA = 61.18(S), Expected = 53.54, Std = 1.8800, ChiSquare = 4.8274e-05