Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G4 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S5 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> CA :: 59.067 CB :: 64.135 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> HA :: 4.560 HB2 :: 4.062 HB3 :: 3.930 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) 1.G7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.76 C 0.17 L 0.04 C Shift Assignments>> C :: 175.346 CA :: 46.933 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.732 HA2 :: 3.965 HA3 :: 3.965 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.651 Ave N Shift Values>> N :: 109.91(4.29) 1.E8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 E 0.34 I 0.22 K 0.04 M 0.02 Q 0.01 C Shift Assignments>> C :: 179.614 CA :: 59.131 CB :: 29.574 CG :: 36.823 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.245 HA :: 4.158 HB2 :: 2.075 HB3 :: 2.075 HG2 :: 2.329 HG3 :: 2.329 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 120.730 Ave N Shift Values>> N :: 120.68(3.68) 1.Q9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 K 0.16 Q 0.14 I 0.09 R 0.06 E 0.06 P 0.02 M 0.01 HN Overlap>> 1.L17 1.L17 C Shift Assignments>> C :: 177.574 CA :: 59.554 CB :: 26.494 CG :: 34.378 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.079 HA :: 4.144 HB2 :: 2.400 HB3 :: 2.257 HG2 :: 2.481 HG3 :: 2.316 HE21 :: 7.187 HE22 :: 6.673 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 120.938 NE2 :: 109.168 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.A10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.58 A 0.29 I 0.05 C 0.04 V 0.01 C Shift Assignments>> C :: 179.321 CA :: 55.707 CB :: 18.624 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.036 HA :: 4.025 HB1 :: 1.505 HB2 :: 1.505 HB3 :: 1.505 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.531 Ave N Shift Values>> N :: 123.23(3.7) 1.E11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.35 C 0.34 E 0.26 K 0.02 M 0.01 C Shift Assignments>> C :: 179.475 CA :: 60.010 CB :: 29.682 CG :: 37.326 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.355 HA :: 3.924 HB2 :: 2.104 HB3 :: 2.104 HG2 :: 2.503 HG3 :: 2.281 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 116.031 Ave N Shift Values>> N :: 120.68(3.68) 1.A12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.56 A 0.36 I 0.03 C 0.02 C Shift Assignments>> C :: 180.790 CA :: 55.060 CB :: 17.900 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.991 HA :: 4.257 HB1 :: 1.534 HB2 :: 1.534 HB3 :: 1.534 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.247 Ave N Shift Values>> N :: 123.23(3.7) 1.Q13 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.35 I 0.3 E 0.19 K 0.08 Q 0.04 P 0.01 C Shift Assignments>> C :: 177.821 CA :: 60.527 CB :: 28.091 CG :: 35.735 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.218 HA :: 4.088 HB2 :: 2.405 HB3 :: 2.200 HG2 :: 3.297(S) HG3 :: 2.417 HE21 :: 8.568 HE22 :: 6.500 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 118.074 NE2 :: 111.496 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.L14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.5 C 0.37 R 0.1 C Shift Assignments>> C :: 178.383 CA :: 58.037 CB :: 41.784 CG :: 26.923 CD1 :: 24.195 CD2 :: 26.094 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.054 HA :: 4.080 HB2 :: 1.861 HB3 :: 1.485 HG :: 1.746 HD11 :: 0.931 HD12 :: 0.931 HD13 :: 0.931 HD21 :: 0.956 HD22 :: 0.956 HD23 :: 0.956 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 118.761 Ave N Shift Values>> N :: 121.98(4.07) 1.A15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.53 A 0.39 I 0.03 C 0.02 C Shift Assignments>> C :: 181.230 CA :: 54.847 CB :: 17.936 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.198 HA :: 4.223 HB1 :: 1.559 HB2 :: 1.559 HB3 :: 1.559 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 119.331 Ave N Shift Values>> N :: 123.23(3.7) 1.E16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 I 0.31 E 0.29 K 0.02 M 0.01 C Shift Assignments>> C :: 178.166 CA :: 59.743 CB :: 29.818 CG :: 37.338 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.220 HA :: 4.190 HB2 :: 2.497 HB3 :: 2.130 HG2 :: 2.316 HG3 :: 2.186 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 121.298 Ave N Shift Values>> N :: 120.68(3.68) 1.L17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.58 C 0.38 R 0.02 HN Overlap>> 1.F83 1.F83 1.Q9 1.Q9 C Shift Assignments>> C :: 179.386 CA :: 58.665 CB :: 41.485 CG :: 26.970 CD1 :: 24.258 CD2 :: 24.258 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.122 HA :: 3.758 HB2 :: 1.745 HB3 :: 1.661 HG :: 1.661 HD11 :: 0.607 HD12 :: 0.607 HD13 :: 0.607 HD21 :: 0.580 HD22 :: 0.580 HD23 :: 0.580 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 120.911 Ave N Shift Values>> N :: 121.98(4.07) 1.D18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.22 Y 0.2 C 0.16 L 0.11 K 0.1 D 0.09 I 0.05 N 0.01 R 0.01 C Shift Assignments>> C :: 179.319 CA :: 57.385 CB :: 40.543 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.069 HA :: 4.389 HB2 :: 2.778 HB3 :: 2.621 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 119.195 Ave N Shift Values>> N :: 120.73(4.2) 1.L19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.52 C 0.35 R 0.1 C Shift Assignments>> C :: 180.593 CA :: 58.053 CB :: 41.764 CG :: 27.242 CD1 :: 25.723 CD2 :: 23.777 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.888 HA :: 4.197 HB2 :: 2.148 HB3 :: 1.753 HG :: 1.575 HD11 :: 0.988 HD12 :: 0.988 HD13 :: 0.988 HD21 :: 0.949 HD22 :: 0.949 HD23 :: 0.949 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 123.319 Ave N Shift Values>> N :: 121.98(4.07) 1.L20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 L 0.35 R 0.16 C Shift Assignments>> C :: 178.569 CA :: 58.259 CB :: 41.751 CG :: 26.465 CD1 :: 27.204 CD2 :: 22.286 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 9.181 HA :: 4.021 HB2 :: 1.931 HB3 :: 1.259 HG :: 2.102 HD11 :: 0.680 HD12 :: 0.680 HD13 :: 0.680 HD21 :: 0.970 HD22 :: 0.970 HD23 :: 0.970 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 121.280 Ave N Shift Values>> N :: 121.98(4.07) 1.A21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.55 A 0.37 I 0.03 C 0.02 C Shift Assignments>> C :: 179.660 CA :: 54.823 CB :: 17.630 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.133 HA :: 4.026 HB1 :: 1.466 HB2 :: 1.466 HB3 :: 1.466 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.178 Ave N Shift Values>> N :: 123.23(3.7) 1.S22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 60.446 CB :: 63.549 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.433 HA :: 4.324 HB2 :: 4.013 HB3 :: 3.981 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 111.436 Ave N Shift Values>> N :: 116.3(3.95) 1.M23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.47 C 0.43 A 0.09 HN Overlap>> 1.F114 1.F114 C Shift Assignments>> CA :: 56.083 CB :: 32.915 CG :: 32.261 CE :: 16.870 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 7.774 HA :: 4.225 HB2 :: 1.858 HB3 :: 1.568 HG2 :: 2.426 HG3 :: 2.426 HE1 :: 1.984 HE2 :: 1.984 HE3 :: 1.984 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 120.728 Ave N Shift Values>> N :: 120.1(3.88) 1.F24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.54 C 0.45 C Shift Assignments>> CA :: 56.065 CB :: 39.057 CD1 :: 132.715 CD2 :: 132.715 CE1 :: 130.495 CE2 :: 130.495 CZ :: 128.838 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 7.975 HA :: 4.833 HB2 :: 3.018 HB3 :: 2.949 HD1 :: 7.453 HD2 :: 7.453 HE1 :: 7.217 HE2 :: 7.217 HZ :: 7.251 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 118.141 Ave N Shift Values>> N :: 120.69(4.18) 1.P25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.84 C 0.14 C Shift Assignments>> C :: 178.672 CA :: 64.392 CB :: 32.901 CG :: 26.239 CD :: 49.407 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.792 HB2 :: 2.186 HB3 :: 2.105 HG2 :: 1.962 HG3 :: 1.882 HD2 :: 3.636 HD3 :: 3.274 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.G26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.67 L 0.13 C 0.09 R 0.07 F 0.01 C Shift Assignments>> C :: 175.116 CA :: 44.995 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.206 HA2 :: 4.153 HA3 :: 3.835 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 112.091 Ave N Shift Values>> N :: 109.91(4.29) 1.E27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.33 C 0.32 I 0.13 K 0.1 Q 0.05 M 0.03 C Shift Assignments>> C :: 177.420 CA :: 58.763 CB :: 29.436 CG :: 35.989 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.869 HA :: 4.128 HB2 :: 2.033 HB3 :: 1.972 HG2 :: 2.296 HG3 :: 2.249 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 123.962 Ave N Shift Values>> N :: 120.68(3.68) 1.N28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.32 C 0.19 D 0.15 Y 0.13 F 0.1 L 0.03 E 0.03 I 0.01 M 0.01 C Shift Assignments>> C :: 174.256 CA :: 54.339 CB :: 38.545 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 9.069 HA :: 4.400 HB2 :: 3.019 HB3 :: 2.827 HD21 :: 7.610 HD22 :: 6.876 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 119.013 ND2 :: 113.603 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.E29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 I 0.27 E 0.16 M 0.02 HN Overlap>> 1.K71 1.K71 C Shift Assignments>> C :: 174.476 CA :: 59.996 CB :: 31.613 CG :: 38.335 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.766 HA :: 4.357 HB2 :: 2.211 HB3 :: 1.996 HG2 :: 2.353 HG3 :: 2.353 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 119.836 Ave N Shift Values>> N :: 120.68(3.68) 1.L30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.36 C 0.26 R 0.24 G 0.12 C Shift Assignments>> C :: 175.592 CA :: 54.352 CB :: 43.577 CG :: 28.463 CD1 :: 25.724 CD2 :: 25.258 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.680 HA :: 5.172 HB2 :: 1.986 HB3 :: 1.430 HG :: 1.322 HD11 :: 0.635 HD12 :: 0.635 HD13 :: 0.635 HD21 :: 0.650 HD22 :: 0.650 HD23 :: 0.650 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 118.507 Ave N Shift Values>> N :: 121.98(4.07) 1.I31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.61 C 0.38 C Shift Assignments>> C :: 175.423 CA :: 59.242 CB :: 40.545 CG1 :: 26.972 CG2 :: 17.348 CD1 :: 13.149 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 9.372 HA :: 4.305 HB :: 1.716 HG12 :: 1.290 HG13 :: 1.077 HG21 :: 0.710 HG22 :: 0.710 HG23 :: 0.710 HD11 :: 0.745 HD12 :: 0.745 HD13 :: 0.745 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 128.334 Ave N Shift Values>> N :: 121.6(4.72) 1.V32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.79 C 0.2 C Shift Assignments>> C :: 175.491 CA :: 63.067 CB :: 30.710 CG1 :: 22.025 CG2 :: 20.836 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.977 HA :: 3.993 HB :: 2.115 HG11 :: 0.903 HG12 :: 0.903 HG13 :: 0.903 HG21 :: 0.913 HG22 :: 0.913 HG23 :: 0.913 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 127.976 Ave N Shift Values>> N :: 121.02(4.96) 1.N33 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> Y 0.22 F 0.2 C 0.19 D 0.14 N 0.08 L 0.07 I 0.04 E 0.01 K 0.01 C Shift Assignments>> C :: 174.465 CA :: 56.325 CB :: 39.410 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.104 HA :: 4.355 HB2 :: 2.278 HB3 :: 1.312(S) HD21 :: 6.444 HD22 :: 6.444 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 125.853 ND2 :: 108.347 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.D34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.28 L 0.23 C 0.11 K 0.1 N 0.08 R 0.07 F 0.04 Y 0.03 G 0.01 C Shift Assignments>> CA :: 52.846 CB :: 42.038 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 6.884 HA :: 5.023 HB2 :: 3.215 HB3 :: 2.653 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 114.519 Ave N Shift Values>> N :: 120.73(4.2) 1.Q35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.27 K 0.24 Q 0.24 E 0.09 R 0.08 M 0.02 I 0.02 C Shift Assignments>> C :: 178.900 CA :: 58.532 CB :: 28.410 CG :: 33.612 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> HA :: 4.079 HB2 :: 2.230 HB3 :: 2.053 HG2 :: 2.545 HG3 :: 2.447 HE21 :: 7.521 HE22 :: 6.878 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> NE2 :: 111.505 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.L36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.55 C 0.43 R 0.01 C Shift Assignments>> C :: 179.325 CA :: 57.782 CB :: 40.531 CG :: 27.217 CD1 :: 24.258 CD2 :: 24.544 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.228 HA :: 4.234 HB2 :: 1.863 HB3 :: 1.863 HG :: 1.693 HD11 :: 1.001 HD12 :: 1.001 HD13 :: 1.001 HD21 :: 0.910 HD22 :: 0.910 HD23 :: 0.910 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 123.183 Ave N Shift Values>> N :: 121.98(4.07) 1.A37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.48 A 0.41 C 0.04 I 0.02 V 0.01 L 0.01 HN Overlap>> 1.I45 1.I45 C Shift Assignments>> C :: 180.432 CA :: 55.065 CB :: 19.216 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.780 HA :: 4.015 HB1 :: 1.319 HB2 :: 1.319 HB3 :: 1.319 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.941 Ave N Shift Values>> N :: 123.23(3.7) 1.V38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.94 C 0.05 C Shift Assignments>> C :: 177.146 CA :: 66.658 CB :: 31.790 CG1 :: 21.546 CG2 :: 23.518 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 6.935 HA :: 3.609 HB :: 2.182 HG11 :: 0.994 HG12 :: 0.994 HG13 :: 0.994 HG21 :: 1.120 HG22 :: 1.120 HG23 :: 1.120 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 116.308 Ave N Shift Values>> N :: 121.02(4.96) 1.A39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.61 A 0.28 I 0.05 C 0.03 C Shift Assignments>> C :: 180.889 CA :: 55.558 CB :: 17.862 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.631 HA :: 4.117 HB1 :: 1.584 HB2 :: 1.584 HB3 :: 1.584 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.274 Ave N Shift Values>> N :: 123.23(3.7) 1.E40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 E 0.35 I 0.19 M 0.04 K 0.02 C Shift Assignments>> C :: 179.301 CA :: 59.220 CB :: 30.436 CG :: 36.943 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.703 HA :: 4.131 HB2 :: 2.331 HB3 :: 2.146 HG2 :: 2.596 HG3 :: 2.293 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 118.599 Ave N Shift Values>> N :: 120.68(3.68) 1.L41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.5 C 0.36 R 0.1 G 0.01 C Shift Assignments>> C :: 178.223 CA :: 58.521 CB :: 42.170 CG :: 26.967 CD1 :: 23.765 CD2 :: 25.505 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.958 HA :: 4.035 HB2 :: 2.064 HB3 :: 1.848 HG :: 1.731 HD11 :: 1.069 HD12 :: 1.069 HD13 :: 1.069 HD21 :: 0.990 HD22 :: 0.990 HD23 :: 0.990 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 121.945 Ave N Shift Values>> N :: 121.98(4.07) 1.K42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 R 0.32 K 0.23 G 0.01 C Shift Assignments>> C :: 179.407 CA :: 60.518 CB :: 32.458 CG :: 26.795 CD :: 29.667 CE :: 42.177 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.077 HA :: 3.889 HB2 :: 1.982 HB3 :: 1.907 HG2 :: 1.683 HG3 :: 1.452 HD2 :: 1.708 HD3 :: 1.708 HE2 :: 2.983 HE3 :: 2.865 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 117.229 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.D43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.21 F 0.17 L 0.14 Y 0.13 C 0.13 R 0.08 D 0.06 I 0.03 C Shift Assignments>> C :: 178.027 CA :: 57.655 CB :: 41.545 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.122 HA :: 4.472 HB2 :: 2.810 HB3 :: 2.712 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 119.809 Ave N Shift Values>> N :: 120.73(4.2) 1.C44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.43 I 0.4 C 0.07 R 0.02 W 0.02 C Shift Assignments>> C :: 177.501 CA :: 62.736 CB :: 26.835 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.427 HA :: 4.356 HB2 :: 3.122 HB3 :: 3.041 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 117.459 Ave N Shift Values>> N :: 119.95(4.79) 1.I45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.89 C 0.1 HN Overlap>> 1.A37 1.A37 C Shift Assignments>> C :: 178.801 CA :: 64.686 CB :: 38.628 CG1 :: 29.929 CG2 :: 17.119 CD1 :: 14.900 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.803 HA :: 3.789 HB :: 1.917 HG12 :: 1.826 HG13 :: 1.065 HG21 :: 0.960 HG22 :: 0.960 HG23 :: 0.960 HD11 :: 0.847 HD12 :: 0.847 HD13 :: 0.847 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 120.936 Ave N Shift Values>> N :: 121.6(4.72) 1.E46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.35 C 0.34 I 0.17 K 0.06 M 0.04 Q 0.02 C Shift Assignments>> C :: 178.578 CA :: 59.260 CB :: 29.961 CG :: 36.326 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.942 HA :: 4.066 HB2 :: 2.183 HB3 :: 2.183 HG2 :: 2.402 HG3 :: 2.274 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 120.500 Ave N Shift Values>> N :: 120.68(3.68) 1.K47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 K 0.34 R 0.27 G 0.01 M 0.01 HN Overlap>> 1.S68 1.S68 C Shift Assignments>> C :: 176.100 CA :: 56.832 CB :: 33.134 CG :: 25.999 CD :: 29.057 CE :: 42.374 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.329 HA :: 4.181 HB2 :: 1.939 HB3 :: 1.835 HG2 :: 1.597 HG3 :: 1.451 HD2 :: 1.615 HD3 :: 1.615 HE2 :: 2.962 HE3 :: 2.962 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 115.641 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.K48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 R 0.33 K 0.25 G 0.02 L 0.01 M 0.01 C Shift Assignments>> C :: 175.881 CA :: 57.065 CB :: 29.389 CG :: 24.984 CD :: 29.203 CE :: 42.481 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.856 HA :: 3.975 HB2 :: 2.122 HB3 :: 1.925 HG2 :: 1.403 HG3 :: 1.403 HD2 :: 1.764 HD3 :: 1.685 HE2 :: 3.067 HE3 :: 3.067 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 116.350 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.T49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.88 C 0.11 C Shift Assignments>> C :: 174.362 CA :: 60.001 CB :: 69.146 CG2 :: 20.569 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.950 HA :: 4.652 HB :: 4.294 HG21 :: 1.116 HG22 :: 1.116 HG23 :: 1.116 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 111.003 Ave N Shift Values>> N :: 115.7(5.05) 1.M50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.43 C 0.37 A 0.18 C Shift Assignments>> C :: 177.463 CA :: 55.449 CB :: 31.846 CG :: 32.627 CE :: 17.601 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 8.648 HA :: 4.577 HB2 :: 2.093 HB3 :: 1.989 HG2 :: 2.703 HG3 :: 2.439 HE1 :: 1.991 HE2 :: 1.991 HE3 :: 1.991 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 122.425 Ave N Shift Values>> N :: 120.1(3.88) 1.E51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.35 C 0.33 I 0.1 K 0.09 M 0.04 Q 0.04 C Shift Assignments>> C :: 176.949 CA :: 58.051 CB :: 29.682 CG :: 36.192 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.529 HA :: 4.124 HB2 :: 2.018 HB3 :: 1.929 HG2 :: 2.261 HG3 :: 2.261 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 121.417 Ave N Shift Values>> N :: 120.68(3.68) 1.G52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.72 L 0.11 C 0.08 R 0.05 C Shift Assignments>> C :: 174.128 CA :: 45.128 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.347 HA2 :: 3.961 HA3 :: 3.784 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.365 Ave N Shift Values>> N :: 109.91(4.29) 1.R53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.43 C 0.36 K 0.1 G 0.08 C Shift Assignments>> C :: 175.838 CA :: 56.544 CB :: 30.454 CG :: 27.463 CD :: 43.495 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.318 HA :: 4.125 HB2 :: 1.577 HB3 :: 1.359 HG2 :: 1.744 HG3 :: 1.451 HD2 :: 3.297 HD3 :: 2.997 HE :: 8.144 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 120.136 NE :: 85.517 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.S54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.85 T 0.14 C Shift Assignments>> C :: 174.991 CA :: 59.666 CB :: 65.913 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.926 HA :: 4.719 HB2 :: 3.987 HB3 :: 3.860 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 119.311 Ave N Shift Values>> N :: 116.3(3.95) 1.S55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.582 CA :: 58.087 CB :: 64.710 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.044 HA :: 4.994 HB2 :: 3.862 HB3 :: 3.617 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 121.602 Ave N Shift Values>> N :: 116.3(3.95) 1.K56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.39 C 0.38 R 0.19 M 0.02 C Shift Assignments>> C :: 176.306 CA :: 56.572 CB :: 32.908 CG :: 25.720 CD :: 29.436 CE :: 41.517 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.517 HA :: 3.990 HB2 :: 1.620 HB3 :: 1.211 HG2 :: 0.987 HG3 :: 0.628 HD2 :: 1.303 HD3 :: 1.130 HE2 :: 2.618 HE3 :: 2.618 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 124.957 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.V57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.89 C 0.1 C Shift Assignments>> C :: 173.756 CA :: 65.145 CB :: 31.901 CG1 :: 22.397 CG2 :: 23.280 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.187 HA :: 3.668 HB :: 2.009 HG11 :: 1.169 HG12 :: 1.169 HG13 :: 1.169 HG21 :: 1.156 HG22 :: 1.156 HG23 :: 1.156 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 121.945 Ave N Shift Values>> N :: 121.02(4.96) 1.Y58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.65 C 0.34 C Shift Assignments>> C :: 175.034 CA :: 53.614 CB :: 40.769 CD1 :: 132.902 CD2 :: 132.902 CE1 :: 117.714 CE2 :: 117.714 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 8.189 HA :: 5.966 HB2 :: 3.043 HB3 :: 2.931 HD1 :: 7.091 HD2 :: 7.091 HE1 :: 6.522 HE2 :: 6.522 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 127.517 Ave N Shift Values>> N :: 120.79(4.69) 1.F59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.65 C 0.33 C Shift Assignments>> C :: 171.932 CA :: 56.058 CB :: 41.745 CD1 :: 131.865 CD2 :: 131.865 CE1 :: 130.269 CE2 :: 130.269 CZ :: 129.046 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.904 HA :: 5.367 HB2 :: 3.101 HB3 :: 2.904 HD1 :: 6.751 HD2 :: 6.751 HE1 :: 7.088 HE2 :: 7.088 HZ :: 7.010 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 126.330 Ave N Shift Values>> N :: 120.69(4.18) 1.T60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.84 C 0.15 C Shift Assignments>> C :: 173.272 CA :: 61.002 CB :: 72.097 CG2 :: 21.072 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 9.462 HA :: 5.520 HB :: 3.819 HG21 :: 0.965 HG22 :: 0.965 HG23 :: 0.965 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 117.245 Ave N Shift Values>> N :: 115.7(5.05) 1.I61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.51 C 0.48 HN Overlap>> 1.L81 1.L81 C Shift Assignments>> C :: 174.792 CA :: 59.507 CB :: 41.031 CG1 :: 28.456 CG2 :: 16.111 CD1 :: 15.148 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.713 HA :: 4.927 HB :: 1.438 HG12 :: 1.659 HG13 :: 0.757 HG21 :: 0.106 HG22 :: 0.106 HG23 :: 0.106 HD11 :: 0.707 HD12 :: 0.707 HD13 :: 0.707 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 125.864 Ave N Shift Values>> N :: 121.6(4.72) 1.N62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.33 N 0.26 L 0.12 C 0.12 F 0.05 Y 0.04 K 0.03 C Shift Assignments>> C :: 174.326 CA :: 52.373 CB :: 40.618 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 9.282 HA :: 5.382 HB2 :: 3.037 HB3 :: 2.705 HD21 :: 7.621 HD22 :: 6.362 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 127.277 ND2 :: 113.008 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.M63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 M 0.32 A 0.22 I 0.02 C Shift Assignments>> C :: 173.592 CA :: 54.940 CB :: 36.593 CG :: 31.646 CE :: 16.862 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 9.190 HA :: 4.707 HB2 :: 2.035 HB3 :: 2.035 HG2 :: 2.431 HG3 :: 2.370 HE1 :: 2.149 HE2 :: 2.149 HE3 :: 2.149 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 121.528 Ave N Shift Values>> N :: 120.1(3.88) 1.N64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.38 D 0.27 C 0.13 L 0.07 Y 0.05 F 0.05 C Shift Assignments>> C :: 174.701 CA :: 52.594 CB :: 39.728 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.975 HA :: 5.379 HB2 :: 2.732 HB3 :: 2.657 HD21 :: 7.428 HD22 :: 6.593 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 124.579 ND2 :: 110.955 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.L65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.45 G 0.31 C 0.17 R 0.04 C Shift Assignments>> C :: 175.710 CA :: 53.600 CB :: 44.453 CG :: 26.970 CD1 :: 25.723 CD2 :: 24.251 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 9.126 HA :: 4.744 HB2 :: 1.666 HB3 :: 1.437 HG :: 1.595 HD11 :: 0.405 HD12 :: 0.405 HD13 :: 0.405 HD21 :: 0.845 HD22 :: 0.845 HD23 :: 0.845 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 124.777 Ave N Shift Values>> N :: 121.98(4.07) 1.D66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.26 L 0.18 C 0.11 K 0.11 N 0.1 F 0.09 Y 0.08 R 0.02 HN Overlap>> 1.L107 1.M74 1.L107 1.M74 C Shift Assignments>> C :: 176.964 CA :: 54.594 CB :: 40.944 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.535 HA :: 4.897 HB2 :: 2.696 HB3 :: 2.527 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 121.119 Ave N Shift Values>> N :: 120.73(4.2) 1.V67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.62 C 0.36 C Shift Assignments>> C :: 175.207 CA :: 61.250 CB :: 32.403 CG1 :: 22.031 CG2 :: 19.706 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.539 HA :: 4.420 HB :: 2.260 HG11 :: 0.919 HG12 :: 0.919 HG13 :: 0.919 HG21 :: 0.834 HG22 :: 0.834 HG23 :: 0.834 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 119.308 Ave N Shift Values>> N :: 121.02(4.96) 1.S68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.K47 1.K47 C Shift Assignments>> C :: 173.805 CA :: 58.508 CB :: 63.700 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.370 HA :: 4.367 HB2 :: 4.070 HB3 :: 3.987 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 115.642 Ave N Shift Values>> N :: 116.3(3.95) 1.D69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.22 L 0.16 F 0.13 C 0.13 Y 0.12 K 0.11 N 0.07 R 0.01 I 0.01 C Shift Assignments>> C :: 175.819 CA :: 55.460 CB :: 40.721 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.617 HA :: 4.503 HB2 :: 2.801 HB3 :: 2.658 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 118.963 Ave N Shift Values>> N :: 120.73(4.2) 1.E70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.35 K 0.08 I 0.06 M 0.06 Q 0.03 C Shift Assignments>> C :: 175.749 CA :: 56.812 CB :: 29.854 CG :: 36.463 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.425 HA :: 4.218 HB2 :: 2.132 HB3 :: 2.012 HG2 :: 2.206 HG3 :: 2.206 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 115.756 Ave N Shift Values>> N :: 120.68(3.68) 1.K71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.4 C 0.38 R 0.17 M 0.01 G 0.01 HN Overlap>> 1.E29 1.E29 C Shift Assignments>> C :: 175.237 CA :: 55.593 CB :: 34.718 CG :: 24.744 CD :: 28.950 CE :: 42.291 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.676 HA :: 4.591 HB2 :: 1.765 HB3 :: 1.710 HG2 :: 1.397 HG3 :: 1.341 HD2 :: 1.662 HD3 :: 1.662 HE2 :: 2.996 HE3 :: 2.996 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 119.849 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.M72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.43 C 0.33 A 0.22 C Shift Assignments>> C :: 175.297 CA :: 54.578 CB :: 34.606 CG :: 32.156 CE :: 17.022 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 8.445 HA :: 5.057 HB2 :: 1.954 HB3 :: 1.893 HG2 :: 2.532 HG3 :: 2.427 HE1 :: 1.957 HE2 :: 1.957 HE3 :: 1.957 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 122.091 Ave N Shift Values>> N :: 120.1(3.88) 1.A73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.48 C 0.2 K 0.1 A 0.07 M 0.06 P 0.02 R 0.01 C Shift Assignments>> C :: 175.254 CA :: 51.343 CB :: 23.678 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.044 HA :: 4.596 HB1 :: 1.333 HB2 :: 1.333 HB3 :: 1.333 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.972 Ave N Shift Values>> N :: 123.23(3.7) 1.M74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.47 C 0.37 A 0.14 HN Overlap>> 1.L107 1.L107 1.D66 1.D66 C Shift Assignments>> C :: 177.136 CA :: 55.071 CB :: 33.246 CG :: 31.647 CE :: 16.552 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 8.490 HA :: 5.249 HB2 :: 1.968 HB3 :: 1.968 HG2 :: 2.351 HG3 :: 2.351 HE1 :: 1.959 HE2 :: 1.959 HE3 :: 1.959 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 121.100 Ave N Shift Values>> N :: 120.1(3.88) 1.F75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.64 C 0.34 C Shift Assignments>> C :: 173.921 CA :: 56.796 CB :: 41.771 CD1 :: 131.481 CD2 :: 131.481 CE1 :: 130.962 CE2 :: 130.962 CZ :: 128.812 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 9.762 HA :: 4.978 HB2 :: 2.971 HB3 :: 2.479 HD1 :: 7.085 HD2 :: 7.085 HE1 :: 6.953 HE2 :: 6.953 HZ :: 6.877 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 130.438 Ave N Shift Values>> N :: 120.69(4.18) 1.S76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 C Shift Assignments>> C :: 173.474 CA :: 56.783 CB :: 65.179 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.143 HA :: 5.647 HB2 :: 3.722 HB3 :: 3.522 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 117.389 Ave N Shift Values>> N :: 116.3(3.95) 1.L77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.4 C 0.3 K 0.2 L 0.05 G 0.01 C Shift Assignments>> C :: 173.956 CA :: 55.470 CB :: 42.481 CG :: 29.927 CD1 :: 27.223 CD2 :: 24.988 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 9.857 HA :: 4.697 HB2 :: 1.592 HB3 :: 1.357 HG :: 1.642 HD11 :: 0.737 HD12 :: 0.737 HD13 :: 0.737 HD21 :: 0.931 HD22 :: 0.931 HD23 :: 0.931 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 127.857 Ave N Shift Values>> N :: 121.98(4.07) 1.A78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.82 M 0.13 C 0.02 C Shift Assignments>> C :: 176.676 CA :: 51.554 CB :: 19.559 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.766 HA :: 4.805 HB1 :: 1.426 HB2 :: 1.426 HB3 :: 1.426 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 128.834 Ave N Shift Values>> N :: 123.23(3.7) 1.C79 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> E 0.14 W 0.14 Q 0.13 H 0.12 R 0.12 C 0.11 K 0.11 M 0.04 I 0.03 V 0.01 C Shift Assignments>> C :: 172.403 CA :: 57.550 CB :: 29.643 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 9.206 HA :: 4.778 HB2 :: 1.598 HB3 :: 1.400(S) Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 123.920 Ave N Shift Values>> N :: 119.95(4.79) 1.I80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.62 C 0.37 HN Overlap>> 1.A136 1.A136 C Shift Assignments>> CA :: 59.849 CB :: 40.149 CG1 :: 28.537 CG2 :: 18.094 CD1 :: 13.274 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.662 HA :: 4.731 HB :: 1.492 HG12 :: 1.072 HG13 :: 0.298 HG21 :: 0.411 HG22 :: 0.411 HG23 :: 0.411 HD11 :: 0.288 HD12 :: 0.288 HD13 :: 0.288 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 123.866 Ave N Shift Values>> N :: 121.6(4.72) 1.L81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.51 L 0.24 C 0.23 HN Overlap>> 1.I61 1.I61 C Shift Assignments>> CA :: 50.386 CB :: 40.053 CG :: 26.486 CD1 :: 24.495 CD2 :: 21.291 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.809 HA :: 4.509 HB2 :: 1.905 HB3 :: 0.854 HG :: 1.335 HD11 :: 0.882 HD12 :: 0.882 HD13 :: 0.882 HD21 :: 0.050 HD22 :: 0.050 HD23 :: 0.050 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 125.806 Ave N Shift Values>> N :: 121.98(4.07) 1.P82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.56 C 0.42 C Shift Assignments>> C :: 176.592 CA :: 62.220 CB :: 32.647 CG :: 27.376 CD :: 51.984 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.040 HB2 :: 2.406 HB3 :: 1.539 HG2 :: 2.208 HG3 :: 1.962 HD2 :: 4.361 HD3 :: 3.367 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.F83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.55 C 0.44 HN Overlap>> 1.L17 1.L17 C Shift Assignments>> C :: 178.048 CA :: 60.494 CB :: 37.699 CD1 :: 130.487 CD2 :: 130.487 CE1 :: 131.695 CE2 :: 131.695 CZ :: 129.786 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.181 HA :: 4.462 HB2 :: 3.306 HB3 :: 2.973 HD1 :: 7.268 HD2 :: 7.268 HE1 :: 7.180 HE2 :: 7.180 HZ :: 6.897 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 121.005 Ave N Shift Values>> N :: 120.69(4.18) 1.K84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.34 C 0.33 R 0.29 M 0.01 G 0.01 C Shift Assignments>> C :: 176.730 CA :: 55.889 CB :: 32.878 CG :: 26.136 CD :: 29.254 CE :: 42.341 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.097 HA :: 4.411 HB2 :: 2.063 HB3 :: 1.598 HG2 :: 1.537 HG3 :: 1.473 HD2 :: 1.677 HD3 :: 1.677 HE2 :: 2.973 HE3 :: 2.973 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 111.174 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.Y85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 Y 0.47 C Shift Assignments>> C :: 174.853 CA :: 57.057 CB :: 38.075 CD1 :: 133.937 CD2 :: 134.015 CE1 :: 119.185 CE2 :: 118.732 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 7.471 HA :: 4.791 HB2 :: 2.822 HB3 :: 3.084 HD1 :: 7.717 HD2 :: 6.941 HE1 :: 7.025 HE2 :: 7.194 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 123.183 Ave N Shift Values>> N :: 120.79(4.69) 1.P86 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> P 0.49 C 0.48 G 0.01 C Shift Assignments>> C :: 175.080 CA :: 63.700 CB :: 32.860 CG :: 24.513 CD :: 49.407 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.181 HB2 :: 1.538 HB3 :: 0.437(S) HG2 :: 1.564 HG3 :: 1.398 HD2 :: 3.376 HD3 :: 3.095 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.A87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.53 A 0.38 I 0.03 C 0.03 C Shift Assignments>> C :: 178.189 CA :: 55.040 CB :: 18.242 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.110 HA :: 4.108 HB1 :: 1.515 HB2 :: 1.515 HB3 :: 1.515 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 128.156 Ave N Shift Values>> N :: 123.23(3.7) 1.V88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.71 V 0.24 A 0.03 C Shift Assignments>> C :: 173.944 CA :: 58.220 CB :: 34.314 CG1 :: 21.339 CG2 :: 18.866 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 6.839 HA :: 4.409 HB :: 2.161 HG11 :: 0.906 HG12 :: 0.906 HG13 :: 0.906 HG21 :: 0.667 HG22 :: 0.667 HG23 :: 0.667 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 108.285 Ave N Shift Values>> N :: 121.02(4.96) 1.L89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.6 C 0.27 R 0.07 A 0.02 K 0.01 C Shift Assignments>> C :: 175.169 CA :: 53.608 CB :: 41.286 CG :: 27.735 CD1 :: 26.209 CD2 :: 23.774 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.948 HA :: 4.469 HB2 :: 1.649 HB3 :: 1.571 HG :: 1.786 HD11 :: 0.929 HD12 :: 0.929 HD13 :: 0.929 HD21 :: 0.947 HD22 :: 0.947 HD23 :: 0.947 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 119.537 Ave N Shift Values>> N :: 121.98(4.07) 1.P90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.55 C 0.42 G 0.01 C Shift Assignments>> C :: 174.380 CA :: 61.871 CB :: 31.418 CG :: 26.206 CD :: 48.871 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.426 HB2 :: 1.537 HB3 :: 1.329 HG2 :: 2.074 HG3 :: 1.734 HD2 :: 3.925 HD3 :: 3.610 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.E91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 E 0.29 K 0.15 Q 0.14 M 0.08 I 0.01 C Shift Assignments>> C :: 175.119 CA :: 55.275 CB :: 29.667 CG :: 35.520 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.183 HA :: 4.373 HB2 :: 1.955 HB3 :: 1.816 HG2 :: 1.995 HG3 :: 1.995 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 119.186 Ave N Shift Values>> N :: 120.68(3.68) 1.I92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.63 C 0.36 C Shift Assignments>> C :: 175.629 CA :: 59.931 CB :: 41.130 CG1 :: 26.430 CG2 :: 16.975 CD1 :: 14.385 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.167 HA :: 4.971 HB :: 1.485 HG12 :: 1.198 HG13 :: 0.823 HG21 :: 0.621 HG22 :: 0.621 HG23 :: 0.621 HD11 :: 0.642 HD12 :: 0.642 HD13 :: 0.642 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 124.940 Ave N Shift Values>> N :: 121.6(4.72) 1.T93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.92 C 0.07 C Shift Assignments>> C :: 173.650 CA :: 61.476 CB :: 70.718 CG2 :: 21.083 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.799 HA :: 4.463 HB :: 3.915 HG21 :: 1.048 HG22 :: 1.048 HG23 :: 1.048 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 122.501 Ave N Shift Values>> N :: 115.7(5.05) 1.V94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.66 C 0.33 C Shift Assignments>> C :: 175.501 CA :: 61.493 CB :: 32.268 CG1 :: 21.937 CG2 :: 22.542 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 10.247 HA :: 5.054 HB :: 1.995 HG11 :: 1.006 HG12 :: 1.006 HG13 :: 1.006 HG21 :: 0.853 HG22 :: 0.853 HG23 :: 0.853 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 131.103 Ave N Shift Values>> N :: 121.02(4.96) 1.R95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 K 0.2 R 0.15 G 0.14 C Shift Assignments>> C :: 175.304 CA :: 54.429 CB :: 34.363 CG :: 28.114 CD :: 43.486 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.957 HA :: 4.780 HB2 :: 1.687 HB3 :: 1.621 HG2 :: 1.485 HG3 :: 1.485 HD2 :: 3.092 HD3 :: 3.092 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 123.478 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.S96 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> S 0.97 T 0.02 C Shift Assignments>> C :: 175.695 CA :: 57.990 CB :: 65.406 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.987 HA :: 4.389 HB2 :: 3.148 HB3 :: 2.554(S) Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 112.429 Ave N Shift Values>> N :: 116.3(3.95) 1.V97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.84 C 0.15 C Shift Assignments>> C :: 176.576 CA :: 63.976 CB :: 31.404 CG1 :: 20.878 CG2 :: 19.731 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.911 HA :: 4.160 HB :: 2.250 HG11 :: 1.016 HG12 :: 1.016 HG13 :: 1.016 HG21 :: 0.987 HG22 :: 0.987 HG23 :: 0.987 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 125.722 Ave N Shift Values>> N :: 121.02(4.96) 1.L98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.52 C 0.26 R 0.15 G 0.03 A 0.01 C Shift Assignments>> C :: 176.821 CA :: 55.151 CB :: 42.754 CG :: 27.473 CD1 :: 25.665 CD2 :: 23.761 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.383 HA :: 4.259 HB2 :: 1.706 HB3 :: 1.352 HG :: 1.621 HD11 :: 0.926 HD12 :: 0.926 HD13 :: 0.926 HD21 :: 0.864 HD22 :: 0.864 HD23 :: 0.864 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 117.932 Ave N Shift Values>> N :: 121.98(4.07) 1.L99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.49 G 0.2 C 0.2 R 0.07 C Shift Assignments>> C :: 177.328 CA :: 53.584 CB :: 43.848 CG :: 26.646 CD1 :: 26.744 CD2 :: 24.532 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.205 HA :: 4.817 HB2 :: 1.974 HB3 :: 1.554 HG :: 1.505 HD11 :: 0.924 HD12 :: 0.924 HD13 :: 0.924 HD21 :: 0.908 HD22 :: 0.908 HD23 :: 0.908 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 116.824 Ave N Shift Values>> N :: 121.98(4.07) 1.S100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 57.054 CB :: 64.895 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.032 HA :: 4.584 HB2 :: 4.413 HB3 :: 4.071 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 120.136 Ave N Shift Values>> N :: 116.3(3.95) 1.R101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> R 0.46 C 0.37 G 0.09 K 0.05 L 0.01 C Shift Assignments>> CA :: 60.205 CB :: 29.684 CG :: 27.226 CD :: 43.234 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> HA :: 4.114 HB2 :: 1.989 HB3 :: 1.924 HG2 :: 1.775 HG3 :: 1.722 HD2 :: 3.269 HD3 :: 3.269 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) 1.S102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 177.872 CA :: 61.712 CB :: 62.360 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> HA :: 4.304 HB2 :: 3.981 HB3 :: 3.981 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) 1.Q103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.27 Q 0.21 K 0.2 E 0.19 I 0.04 M 0.04 R 0.02 C Shift Assignments>> C :: 178.177 CA :: 58.568 CB :: 29.180 CG :: 34.461 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 7.809 HA :: 4.481 HB2 :: 2.367 HB3 :: 2.367 HG2 :: 2.616 HG3 :: 2.616 HE21 :: 6.821 HE22 :: 7.486 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 123.503 NE2 :: 110.322 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.Q104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.32 E 0.21 K 0.14 Q 0.13 I 0.13 M 0.02 R 0.01 C Shift Assignments>> C :: 179.054 CA :: 60.200 CB :: 29.080 CG :: 34.873 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 9.126 HA :: 3.910 HB2 :: 2.366 HB3 :: 2.227 HG2 :: 2.460 HG3 :: 2.347 HE21 :: 7.549 HE22 :: 6.878 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 119.881 NE2 :: 111.643 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.T105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.98 C 0.01 HN Overlap>> 1.N127 1.N127 C Shift Assignments>> C :: 176.667 CA :: 66.968 CB :: 68.729 CG2 :: 21.591 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.405 HA :: 4.124 HB :: 4.366 HG21 :: 1.278 HG22 :: 1.278 HG23 :: 1.278 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 118.013 Ave N Shift Values>> N :: 115.7(5.05) 1.Q106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 K 0.22 Q 0.22 E 0.12 R 0.05 I 0.03 M 0.02 C Shift Assignments>> C :: 176.807 CA :: 59.223 CB :: 28.783 CG :: 33.961 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.061 HA :: 3.954 HB2 :: 2.392 HB3 :: 2.392 HG2 :: 2.802 HG3 :: 2.694 HE21 :: 7.983 HE22 :: 7.064 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 123.456 NE2 :: 116.122 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.L107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 R 0.26 K 0.1 L 0.1 G 0.01 HN Overlap>> 1.M74 1.D66 1.M74 1.D66 C Shift Assignments>> C :: 178.903 CA :: 60.175 CB :: 41.802 CG :: 28.098 CD1 :: 27.816 CD2 :: 25.385 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.476 HA :: 3.369 HB2 :: 1.447 HB3 :: 1.047 HG :: 1.371 HD11 :: 0.782 HD12 :: 0.782 HD13 :: 0.782 HD21 :: 0.850 HD22 :: 0.850 HD23 :: 0.850 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 121.136 Ave N Shift Values>> N :: 121.98(4.07) 1.N108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.27 F 0.26 C 0.2 I 0.11 D 0.04 L 0.03 E 0.02 N 0.01 C Shift Assignments>> C :: 178.264 CA :: 58.007 CB :: 39.276 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.083 HA :: 4.246 HB2 :: 2.926 HB3 :: 2.843 HD21 :: 7.940 HD22 :: 7.577 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 116.512 ND2 :: 114.118 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.T109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 176.290 CA :: 67.037 CB :: 68.865 CG2 :: 21.354 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.506 HA :: 3.921 HB :: 4.416 HG21 :: 1.290 HG22 :: 1.290 HG23 :: 1.290 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 120.227 Ave N Shift Values>> N :: 115.7(5.05) 1.D110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.26 F 0.23 C 0.21 I 0.08 D 0.06 L 0.04 E 0.03 N 0.03 HN Overlap>> 1.L111 1.L111 C Shift Assignments>> C :: 178.773 CA :: 57.307 CB :: 39.005 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.679 HA :: 4.462 HB2 :: 3.241 HB3 :: 2.852 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 125.537 Ave N Shift Values>> N :: 120.73(4.2) 1.L111 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.7 L 0.24 A 0.02 R 0.01 HN Overlap>> 1.D110 1.D110 C Shift Assignments>> C :: 178.009 CA :: 57.633 CB :: 40.025 CG :: 27.104 CD1 :: 22.029 CD2 :: 26.481 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.613 HA :: 2.530(S) HB2 :: 1.594 HB3 :: 0.829 HG :: 1.258 HD11 :: 0.609 HD12 :: 0.609 HD13 :: 0.609 HD21 :: 0.703 HD22 :: 0.703 HD23 :: 0.703 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 125.469 Ave N Shift Values>> N :: 121.98(4.07) 1.T112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> CA :: 67.910 CB :: 68.423 CG2 :: 21.536 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.870 HA :: 3.672 HB :: 4.251 HG21 :: 1.220 HG22 :: 1.220 HG23 :: 1.220 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 116.024 Ave N Shift Values>> N :: 115.7(5.05) 1.A113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.56 A 0.35 I 0.04 C 0.03 C Shift Assignments>> CA :: 55.183 CB :: 18.085 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.913 HA :: 4.130 HB1 :: 1.531 HB2 :: 1.531 HB3 :: 1.531 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.584 Ave N Shift Values>> N :: 123.23(3.7) 1.F114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.43 Y 0.3 C 0.26 HN Overlap>> 1.M23 1.M23 C Shift Assignments>> C :: 177.689 CA :: 61.499 CB :: 38.351 CD1 :: 132.251 CD2 :: 132.251 CE1 :: 131.265 CE2 :: 131.265 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 7.794 HA :: 4.365 HB2 :: 3.012 HB3 :: 2.821 HD1 :: 7.071 HD2 :: 7.071 HE1 :: 7.110 HE2 :: 7.110 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 120.639 Ave N Shift Values>> N :: 120.69(4.18) 1.L115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.51 C 0.4 R 0.06 C Shift Assignments>> C :: 179.412 CA :: 58.027 CB :: 41.774 CG :: 26.241 CD1 :: 26.184 CD2 :: 22.276 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.509 HA :: 3.712 HB2 :: 2.032 HB3 :: 1.436 HG :: 2.041 HD11 :: 0.873 HD12 :: 0.873 HD13 :: 0.873 HD21 :: 0.952 HD22 :: 0.952 HD23 :: 0.952 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 120.433 Ave N Shift Values>> N :: 121.98(4.07) 1.Q116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 Q 0.23 K 0.23 E 0.11 R 0.06 I 0.03 M 0.02 C Shift Assignments>> C :: 177.552 CA :: 58.787 CB :: 28.559 CG :: 33.884 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.560 HA :: 3.906 HB2 :: 2.203 HB3 :: 2.057 HG2 :: 2.410 HG3 :: 2.322 HE21 :: 7.279 HE22 :: 6.633 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 117.155 NE2 :: 111.356 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.K117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.4 C 0.39 R 0.16 M 0.02 C Shift Assignments>> C :: 178.162 CA :: 58.273 CB :: 33.415 CG :: 24.810 CD :: 29.151 CE :: 42.126 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.514 HA :: 4.046 HB2 :: 1.717 HB3 :: 1.507 HG2 :: 1.153 HG3 :: 0.789 HD2 :: 1.583 HD3 :: 1.583 HE2 :: 2.920 HE3 :: 2.920 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 116.330 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.H118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 W 0.36 H 0.2 C Shift Assignments>> C :: 176.797 CA :: 57.911 CB :: 32.237 CD2 :: 123.375 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 7.905 HA :: 4.608 HB2 :: 2.986 HB3 :: 2.310 HD2 :: 6.692 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 113.542 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.C119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.16 E 0.14 C 0.13 R 0.12 H 0.11 Q 0.09 K 0.07 I 0.05 M 0.04 V 0.03 C Shift Assignments>> C :: 174.114 CA :: 58.626 CB :: 30.124 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.148 HA :: 4.695 HB2 :: 3.345 HB3 :: 2.759 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 116.689 Ave N Shift Values>> N :: 119.95(4.79) 1.H120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.35 W 0.34 C 0.3 C Shift Assignments>> C :: 176.165 CA :: 57.126 CB :: 30.227 CD2 :: 119.677 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 7.817 HA :: 4.366 HB2 :: 3.170 HB3 :: 3.170 HD2 :: 6.956 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 120.526 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.G121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.08 L 0.07 R 0.02 C Shift Assignments>> C :: 173.007 CA :: 45.611 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.820 HA2 :: 4.119 HA3 :: 3.562 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 114.886 Ave N Shift Values>> N :: 109.91(4.29) 1.D122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.4 L 0.21 C 0.12 R 0.1 D 0.09 F 0.01 N 0.01 K 0.01 C Shift Assignments>> C :: 175.965 CA :: 51.855 CB :: 43.884 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 7.704 HA :: 4.866 HB2 :: 2.743 HB3 :: 2.423 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 118.851 Ave N Shift Values>> N :: 120.73(4.2) 1.V123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.59 V 0.39 I 0.01 C Shift Assignments>> C :: 178.343 CA :: 62.797 CB :: 29.733 CG1 :: 22.162 CG2 :: 17.765 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.525 HA :: 4.133 HB :: 2.862 HG11 :: 0.922 HG12 :: 0.922 HG13 :: 0.922 HG21 :: 0.939 HG22 :: 0.939 HG23 :: 0.939 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 114.904 Ave N Shift Values>> N :: 121.02(4.96) 1.C124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.14 R 0.14 E 0.14 C 0.13 H 0.12 Q 0.09 M 0.08 K 0.08 V 0.02 I 0.02 C Shift Assignments>> C :: 175.275 CA :: 57.740 CB :: 30.816 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 9.143 HA :: 5.694 HB2 :: 3.447 HB3 :: 2.890 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 116.334 Ave N Shift Values>> N :: 119.95(4.79) 1.I125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.86 V 0.07 I 0.05 C Shift Assignments>> C :: 179.612 CA :: 63.687 CB :: 33.847 CG1 :: 26.949 CG2 :: 19.546 CD1 :: 8.379 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 10.037 HA :: 3.907 HB :: 2.409 HG12 :: 2.423 HG13 :: 1.477 HG21 :: 1.054 HG22 :: 1.054 HG23 :: 1.054 HD11 :: 0.625 HD12 :: 0.625 HD13 :: 0.625 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 126.709 Ave N Shift Values>> N :: 121.6(4.72) 1.L126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.52 C 0.44 R 0.03 C Shift Assignments>> C :: 180.998 CA :: 58.485 CB :: 40.708 CG :: 27.490 CD1 :: 25.219 CD2 :: 24.754 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 9.253 HA :: 4.409 HB2 :: 1.732 HB3 :: 1.732 HG :: 1.765 HD11 :: 0.988 HD12 :: 0.988 HD13 :: 0.988 HD21 :: 1.017 HD22 :: 1.017 HD23 :: 1.017 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 120.451 Ave N Shift Values>> N :: 121.98(4.07) 1.N127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.25 Y 0.23 F 0.16 E 0.11 N 0.07 I 0.05 D 0.05 M 0.02 L 0.01 HN Overlap>> 1.T105 1.T105 C Shift Assignments>> C :: 178.299 CA :: 56.561 CB :: 38.044 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.394 HA :: 4.552 HB2 :: 2.935 HB3 :: 2.826 HD21 :: 7.780 HD22 :: 7.115 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 117.960 ND2 :: 112.366 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.A128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.57 A 0.31 I 0.04 C 0.03 V 0.01 C Shift Assignments>> C :: 179.377 CA :: 55.590 CB :: 18.587 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.539 HA :: 4.263 HB1 :: 1.665 HB2 :: 1.665 HB3 :: 1.665 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.020 Ave N Shift Values>> N :: 123.23(3.7) 1.T129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.96 C 0.03 C Shift Assignments>> C :: 176.972 CA :: 66.357 CB :: 68.709 CG2 :: 23.100 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.836 HA :: 3.964 HB :: 4.475 HG21 :: 1.439 HG22 :: 1.439 HG23 :: 1.439 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 110.362 Ave N Shift Values>> N :: 115.7(5.05) 1.E130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.35 C 0.34 I 0.17 K 0.06 M 0.03 Q 0.02 C Shift Assignments>> C :: 178.787 CA :: 58.908 CB :: 29.595 CG :: 36.482 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.048 HA :: 4.132 HB2 :: 2.234 HB3 :: 2.142 HG2 :: 2.452 HG3 :: 2.324 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 122.454 Ave N Shift Values>> N :: 120.68(3.68) 1.W131 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> W 0.59 C 0.38 H 0.01 C Shift Assignments>> C :: 180.302 CA :: 62.598 CB :: 29.240 CD1 :: 127.384 CE3 :: 120.918 CZ2 :: 113.528 CZ3 :: 119.623 CH2 :: 124.942 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 8.300 HA :: 4.025 HB2 :: 3.409 HB3 :: 2.800 HD1 :: 5.168(A) HE1 :: 9.623 HE3 :: 7.201 HZ2 :: 7.008 HZ3 :: 6.601 HH2 :: 7.337 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 122.336 NE1 :: 129.673 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.V132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.91 C 0.08 C Shift Assignments>> C :: 176.819 CA :: 67.878 CB :: 31.594 CG1 :: 21.790 CG2 :: 25.025 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.639 HA :: 3.430 HB :: 2.320 HG11 :: 0.762 HG12 :: 0.762 HG13 :: 0.762 HG21 :: 1.369 HG22 :: 1.369 HG23 :: 1.369 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 120.131 Ave N Shift Values>> N :: 121.02(4.96) 1.R133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.46 C 0.37 K 0.07 G 0.07 C Shift Assignments>> C :: 178.445 CA :: 60.061 CB :: 30.076 CG :: 27.369 CD :: 43.156 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.330 HA :: 3.778 HB2 :: 1.913 HB3 :: 1.913 HG2 :: 1.746 HG3 :: 1.511 HD2 :: 3.316 HD3 :: 3.222 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 119.128 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.E134 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> E 0.31 C 0.3 Q 0.11 K 0.1 M 0.1 I 0.05 C Shift Assignments>> C :: 177.899 CA :: 57.992 CB :: 30.275 CG :: 35.450 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.611 HA :: 3.906 HB2 :: 1.653 HB3 :: 1.275(S) HG2 :: 1.898 HG3 :: 1.464(S) Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 115.667 Ave N Shift Values>> N :: 120.68(3.68) 1.H135 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> W 0.35 H 0.35 C 0.29 C Shift Assignments>> C :: 176.867 CA :: 57.287 CB :: 29.667 CD2 :: 120.663 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 7.825 HA :: 4.389 HB2 :: 2.588 HB3 :: 1.214(S) HD2 :: 5.966 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 112.511 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.A136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.61 I 0.12 A 0.12 C 0.05 V 0.05 T 0.01 HN Overlap>> 1.I80 1.I80 C Shift Assignments>> C :: 179.121 CA :: 57.018 CB :: 18.759 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.662 HA :: 3.870 HB1 :: 0.796 HB2 :: 0.796 HB3 :: 0.796 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.869 Ave N Shift Values>> N :: 123.23(3.7) 1.S137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.781 CA :: 61.444 CB :: 62.352 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.883 HA :: 3.923 HB2 :: 3.980 HB3 :: 3.856 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 109.540 Ave N Shift Values>> N :: 116.3(3.95) 1.G138 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 C 0.1 L 0.06 C Shift Assignments>> C :: 174.956 CA :: 46.071 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.815 HA2 :: 3.992 HA3 :: 3.758 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.949 Ave N Shift Values>> N :: 109.91(4.29) 1.Y139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.57 C 0.42 C Shift Assignments>> C :: 175.390 CA :: 59.669 CB :: 39.301 CD1 :: 133.977 CD2 :: 133.977 CE1 :: 117.951 CE2 :: 117.951 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 7.854 HA :: 4.360 HB2 :: 3.168 HB3 :: 2.936 HD1 :: 7.398 HD2 :: 7.398 HE1 :: 6.623 HE2 :: 6.623 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 117.221 Ave N Shift Values>> N :: 120.79(4.69) 1.V140 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.74 C 0.25 C Shift Assignments>> C :: 176.398 CA :: 62.406 CB :: 32.590 CG1 :: 21.921 CG2 :: 21.107 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.084 HA :: 4.170 HB :: 2.320 HG11 :: 1.057 HG12 :: 1.057 HG13 :: 1.057 HG21 :: 1.080 HG22 :: 1.080 HG23 :: 1.080 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 114.771 Ave N Shift Values>> N :: 121.02(4.96) 1.S141 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.488 CA :: 58.661 CB :: 63.795 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.376 HA :: 4.499 HB2 :: 3.918 HB3 :: 3.918 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 118.437 Ave N Shift Values>> N :: 116.3(3.95) 1.R142 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.43 C 0.36 K 0.13 G 0.07 C Shift Assignments>> C :: 176.047 CA :: 56.140 CB :: 31.087 CG :: 27.207 CD :: 43.363 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.298 HA :: 4.398 HB2 :: 1.898 HB3 :: 1.785 HG2 :: 1.697 HG3 :: 1.630 HD2 :: 3.186 HD3 :: 3.186 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 123.064 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.D143 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.26 L 0.2 K 0.13 C 0.1 N 0.08 F 0.08 Y 0.06 R 0.04 C Shift Assignments>> C :: 176.744 CA :: 54.306 CB :: 41.321 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.447 HA :: 4.719 HB2 :: 2.814 HB3 :: 2.704 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 121.764 Ave N Shift Values>> N :: 120.73(4.2) 1.T144 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.92 C 0.07 C Shift Assignments>> C :: 175.152 CA :: 61.907 CB :: 69.428 CG2 :: 21.684 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.279 HA :: 4.414 HB :: 4.387 HG21 :: 1.232 HG22 :: 1.232 HG23 :: 1.232 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 114.792 Ave N Shift Values>> N :: 115.7(5.05) 1.S145 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.950 CA :: 59.102 CB :: 64.089 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.460 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 118.318 Ave N Shift Values>> N :: 116.3(3.95) 1.S146 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S147 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G148 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P149 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S150 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S151 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G152 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable ########################################################################### Overall Results: #Consistent: 143 #Clerical: 0 #Suspicious: 8 #Anomalous: 1 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 140 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 12 Shift Relative Order (SRO) Results: #Consistent: 152 #Suspicious: 0 C Shift Results: #Consistent: 613 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 986 #Duplicate: 0 #Unknown: 0 #Suspicious: 9 #Anomalous: 1 N Shift Results: #Consistent: 147 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.Q13 HG2 = 3.297(S), Expected = 2.32, Std = 0.2900, ChiSquare = 7.5451e-04 1.N33 HB3 = 1.312(S), Expected = 2.78, Std = 0.3400, ChiSquare = 1.5770e-05 1.C79 HB3 = 1.400(S), Expected = 2.98, Std = 0.4500, ChiSquare = 4.4624e-04 1.P86 HB3 = 0.437(S), Expected = 2.05, Std = 0.3900, ChiSquare = 3.5357e-05 1.S96 HB3 = 2.554(S), Expected = 3.87, Std = 0.3100, ChiSquare = 2.1844e-05 1.L111 HA = 2.530(S), Expected = 4.32, Std = 0.4700, ChiSquare = 1.3981e-04 1.W131 HD1 = 5.168(A), Expected = 7.16, Std = 0.3400, ChiSquare = 4.6616e-09 1.E134 HB3 = 1.275(S), Expected = 2.04, Std = 0.2300, ChiSquare = 8.8074e-04 1.E134 HG3 = 1.464(S), Expected = 2.31, Std = 0.2100, ChiSquare = 5.6117e-05 1.H135 HB3 = 1.214(S), Expected = 3.11, Std = 0.4500, ChiSquare = 2.5163e-05