Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G4 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S5 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 175.167 CA :: 58.759 CB :: 64.069 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> HA :: 4.483 HB2 :: 3.889 HB3 :: 3.889 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 0.79 L 0.08 C 0.08 R 0.02 C Shift Assignments>> C :: 174.570 CA :: 45.483 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.431 HA2 :: 3.973 HA3 :: 3.973 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.640 Ave N Shift Values>> N :: 109.91(4.29) 1.M8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.46 C 0.42 A 0.1 C Shift Assignments>> C :: 176.621 CA :: 55.991 CB :: 32.986 CG :: 31.979 CE :: 16.967 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 :: 8.239 HA :: 4.386 HB2 :: 2.020 HB3 :: 2.020 HG2 :: 2.552 HG3 :: 2.490 HE1 :: 2.068 HE2 :: 2.068 HE3 :: 2.068 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 :: 120.219 Ave N Shift Values>> N :: 120.1(3.88) 1.A9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.66 M 0.29 C 0.02 C Shift Assignments>> C :: 177.951 CA :: 53.399 CB :: 18.955 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.435 HA :: 4.182 HB1 :: 1.383 HB2 :: 1.383 HB3 :: 1.383 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.459 Ave N Shift Values>> N :: 123.23(3.7) 1.S10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.467 CA :: 58.709 CB :: 63.778 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.100 HA :: 4.391 HB2 :: 3.843 HB3 :: 3.788 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 :: 113.881 Ave N Shift Values>> N :: 116.3(3.95) 1.T11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.93 C 0.06 C Shift Assignments>> C :: 173.610 CA :: 61.936 CB :: 69.713 CG2 :: 21.479 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 :: 7.821 HA :: 4.191 HB :: 3.998 HG21 :: 0.984 HG22 :: 0.984 HG23 :: 0.984 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 :: 114.471 Ave N Shift Values>> N :: 115.7(5.05) 1.F12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.61 C 0.38 C Shift Assignments>> C :: 174.211 CA :: 56.644 CB :: 40.609 CD1 :: 131.706 CD2 :: 131.706 CE1 :: 131.507 CE2 :: 131.507 CZ :: 128.786 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 :: 7.946 HA :: 4.769 HB2 :: 2.975 HB3 :: 2.907 HD1 :: 7.201 HD2 :: 7.201 HE1 :: 7.291 HE2 :: 7.291 HZ :: 7.016 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 :: 120.763 Ave N Shift Values>> N :: 120.69(4.18) 1.N13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.43 D 0.27 C 0.14 L 0.05 F 0.03 Y 0.03 C Shift Assignments>> C :: 172.158 CA :: 50.988 CB :: 39.942 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 :: 9.004 HA :: 5.366 HB2 :: 2.810 HB3 :: 2.666 HD21 :: 7.564 HD22 :: 6.776 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 :: 119.973 ND2 :: 112.812 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.P14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.79 C 0.2 C Shift Assignments>> C :: 174.901 CA :: 63.096 CB :: 32.739 CG :: 27.299 CD :: 50.705 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 :: 4.945 HB2 :: 1.920 HB3 :: 1.820 HG2 :: 1.919 HG3 :: 1.678 HD2 :: 3.981 HD3 :: 3.490 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.R15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.35 C 0.34 K 0.22 G 0.07 C Shift Assignments>> C :: 174.432 CA :: 54.827 CB :: 32.439 CG :: 27.938 CD :: 43.288 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 :: 8.908 HA :: 4.626 HB2 :: 1.697 HB3 :: 1.332 HG2 :: 1.668 HG3 :: 1.464 HD2 :: 3.279 HD3 :: 2.986 HE :: 6.808 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 :: 118.947 NE :: 82.667 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.E16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.65 E 0.21 I 0.06 M 0.05 C Shift Assignments>> C :: 175.767 CA :: 55.621 CB :: 31.093 CG :: 38.652 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 :: 8.838 HA :: 4.876 HB2 :: 2.095 HB3 :: 1.730 HG2 :: 1.860 HG3 :: 1.760 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 125.316 Ave N Shift Values>> N :: 120.68(3.68) 1.C17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.17 R 0.15 C 0.14 H 0.14 Q 0.13 K 0.1 M 0.06 I 0.04 V 0.02 C Shift Assignments>> C :: 172.973 CA :: 57.930 CB :: 30.105 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 9.327 HA :: 4.804 HB2 :: 2.431 HB3 :: 2.431 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 :: 127.909 Ave N Shift Values>> N :: 119.95(4.79) 1.K18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.39 C 0.34 R 0.2 M 0.03 C Shift Assignments>> C :: 174.586 CA :: 55.956 CB :: 32.203 CG :: 25.197 CD :: 29.372 CE :: 42.063 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 :: 9.022 HA :: 4.769 HB2 :: 1.787 HB3 :: 1.701 HG2 :: 1.328 HG3 :: 1.328 HD2 :: 1.626 HD3 :: 1.626 HE2 :: 2.878 HE3 :: 2.878 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 :: 127.039 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.L19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.35 C 0.33 G 0.25 L 0.02 K 0.02 C Shift Assignments>> C :: 176.862 CA :: 55.391 CB :: 44.442 CG :: 30.038 CD1 :: 25.341 CD2 :: 27.147 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 :: 8.784 HA :: 4.852 HB2 :: 1.473 HB3 :: 1.473 HG :: 1.462 HD11 :: 0.494 HD12 :: 0.494 HD13 :: 0.494 HD21 :: 0.472 HD22 :: 0.472 HD23 :: 0.472 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 :: 126.311 Ave N Shift Values>> N :: 121.98(4.07) 1.S20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.95 T 0.04 C Shift Assignments>> C :: 171.960 CA :: 57.525 CB :: 65.794 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.215 HA :: 5.461 HB2 :: 3.842 HB3 :: 3.790 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 :: 115.113 Ave N Shift Values>> N :: 116.3(3.95) 1.K21 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> C 0.56 A 0.31 G 0.07 K 0.02 M 0.01 R 0.01 C Shift Assignments>> C :: 174.133 CA :: 53.840 CB :: 36.553 CG :: 21.695 CD :: 28.082 CE :: 42.730 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 :: 9.001 HA :: 4.887 HB2 :: 1.492 HB3 :: 1.204 HG2 :: 0.883 HG3 :: 0.800 HD2 :: 0.644(S) HD3 :: -0.567(A) HE2 :: 2.565 HE3 :: 2.402 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 120.938 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.Q22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.27 Q 0.25 M 0.23 K 0.14 E 0.08 R 0.01 C Shift Assignments>> C :: 176.372 CA :: 53.658 CB :: 30.473 CG :: 33.901 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 :: 8.201 HA :: 4.448 HB2 :: 2.125 HB3 :: 1.656 HG2 :: 2.350 HG3 :: 2.350 HE21 :: 7.535 HE22 :: 6.846 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 116.816 NE2 :: 112.924 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.E23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 E 0.25 K 0.18 Q 0.17 I 0.04 M 0.04 R 0.01 C Shift Assignments>> C :: 177.778 CA :: 58.001 CB :: 29.237 CG :: 35.045 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 :: 8.624 HA :: 4.056 HB2 :: 2.021 HB3 :: 1.851 HG2 :: 2.338 HG3 :: 2.140 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 :: 122.364 Ave N Shift Values>> N :: 120.68(3.68) 1.G24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.77 L 0.09 C 0.07 R 0.03 C Shift Assignments>> C :: 173.857 CA :: 45.288 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.962 HA2 :: 4.139 HA3 :: 3.711 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 113.942 Ave N Shift Values>> N :: 109.91(4.29) 1.Q25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.28 C 0.26 Q 0.23 K 0.11 E 0.08 R 0.01 C Shift Assignments>> C :: 174.727 CA :: 54.052 CB :: 30.843 CG :: 33.727 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 :: 7.643 HA :: 4.488 HB2 :: 2.187 HB3 :: 1.921 HG2 :: 2.457 HG3 :: 2.356 HE21 :: 7.722 HE22 :: 6.750 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 :: 119.538 NE2 :: 111.937 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.N26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.33 D 0.32 C 0.12 L 0.09 F 0.04 Y 0.04 K 0.02 HN Overlap>> 1.K53 1.K53 C Shift Assignments>> C :: 176.261 CA :: 51.812 CB :: 40.403 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 :: 8.625 HA :: 4.862 HB2 :: 2.914 HB3 :: 2.752 HD21 :: 7.716 HD22 :: 7.071 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 :: 120.047 ND2 :: 114.968 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.Y27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.74 C 0.25 C Shift Assignments>> C :: 176.731 CA :: 62.462 CB :: 40.240 CD1 :: 132.460 CD2 :: 132.460 CE1 :: 118.930 CE2 :: 118.930 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>> HA :: 4.152 HB2 :: 3.070 HB3 :: 2.701 HD1 :: 6.934 HD2 :: 6.934 HE1 :: 6.506 HE2 :: 6.506 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 121.761 Ave N Shift Values>> N :: 120.79(4.69) 1.G28 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 :: 172.198 CA :: 46.139 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.285 HA2 :: 4.490 HA3 :: 3.759 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 103.567 Ave N Shift Values>> N :: 109.91(4.29) 1.F29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.63 C 0.35 G 0.01 C Shift Assignments>> C :: 172.840 CA :: 55.262 CB :: 41.779 CD1 :: 132.211 CD2 :: 132.211 CE1 :: 130.160 CE2 :: 130.160 CZ :: 127.966 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 :: 6.878 HA :: 5.179 HB2 :: 2.820 HB3 :: 2.617 HD1 :: 6.816 HD2 :: 6.816 HE1 :: 6.700 HE2 :: 6.700 HZ :: 6.705 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 :: 111.027 Ave N Shift Values>> N :: 120.69(4.18) 1.F30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.65 C 0.34 C Shift Assignments>> C :: 174.501 CA :: 55.356 CB :: 41.681 CD1 :: 131.357 CD2 :: 131.357 CE1 :: 131.454 CE2 :: 131.454 CZ :: 129.897 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 :: 8.806 HA :: 4.923 HB2 :: 3.029 HB3 :: 2.722 HD1 :: 7.249 HD2 :: 7.249 HE1 :: 7.354 HE2 :: 7.354 HZ :: 7.292 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 :: 118.710 Ave N Shift Values>> N :: 120.69(4.18) 1.L31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.47 C 0.22 G 0.16 R 0.12 C Shift Assignments>> C :: 177.306 CA :: 53.610 CB :: 43.696 CG :: 27.457 CD1 :: 26.020 CD2 :: 25.636 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 :: 8.441 HA :: 5.447 HB2 :: 1.670 HB3 :: 1.611 HG :: 1.685 HD11 :: 0.800 HD12 :: 0.800 HD13 :: 0.800 HD21 :: 0.797 HD22 :: 0.797 HD23 :: 0.797 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 :: 123.765 Ave N Shift Values>> N :: 121.98(4.07) 1.R32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.61 G 0.21 R 0.09 K 0.08 C Shift Assignments>> C :: 175.155 CA :: 54.210 CB :: 35.087 CG :: 26.805 CD :: 43.579 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 9.381 HA :: 4.840 HB2 :: 1.739 HB3 :: 1.563 HG2 :: 1.549 HG3 :: 1.431 HD2 :: 3.239 HD3 :: 3.128 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 :: 123.160 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.I33 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 :: 175.850 CA :: 59.641 CB :: 39.538 CG1 :: 26.320 CG2 :: 17.622 CD1 :: 12.910 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 :: 7.891 HA :: 4.495 HB :: 1.639 HG12 :: 1.267 HG13 :: 0.766 HG21 :: 0.762 HG22 :: 0.762 HG23 :: 0.762 HD11 :: 0.775 HD12 :: 0.775 HD13 :: 0.775 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 118.924 Ave N Shift Values>> N :: 121.6(4.72) 1.E34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 E 0.24 M 0.23 C Shift Assignments>> C :: 175.766 CA :: 54.263 CB :: 32.128 CG :: 36.812 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 :: 8.971 HA :: 4.578 HB2 :: 1.924 HB3 :: 1.563 HG2 :: 2.253 HG3 :: 1.934 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 125.447 Ave N Shift Values>> N :: 120.68(3.68) 1.K35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.39 C 0.38 R 0.16 M 0.04 C Shift Assignments>> C :: 177.701 CA :: 57.591 CB :: 32.491 CG :: 24.512 CD :: 29.530 CE :: 42.034 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 :: 8.504 HA :: 4.026 HB2 :: 1.763 HB3 :: 1.691 HG2 :: 1.412 HG3 :: 1.379 HD2 :: 1.741 HD3 :: 1.741 HE2 :: 2.990 HE3 :: 2.990 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 122.893 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.D36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.18 Y 0.18 F 0.18 C 0.16 L 0.1 N 0.09 K 0.03 I 0.02 C Shift Assignments>> C :: 174.554 CA :: 55.868 CB :: 39.826 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 9.020 HA :: 4.385 HB2 :: 2.898 HB3 :: 2.742 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 :: 121.412 Ave N Shift Values>> N :: 120.73(4.2) 1.T37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.91 C 0.08 C Shift Assignments>> C :: 172.012 CA :: 61.686 CB :: 70.927 CG2 :: 21.491 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 :: 7.464 HA :: 4.454 HB :: 3.920 HG21 :: 1.128 HG22 :: 1.128 HG23 :: 1.128 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 113.147 Ave N Shift Values>> N :: 115.7(5.05) 1.D38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.3 R 0.25 C 0.11 D 0.1 K 0.07 G 0.06 F 0.04 Y 0.03 C Shift Assignments>> CA :: 54.826 CB :: 43.332 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 :: 8.931 HA :: 4.852 HB2 :: 2.864 HB3 :: 2.726 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 120.401 Ave N Shift Values>> N :: 120.73(4.2) 1.G39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.29 L 0.26 G 0.22 C 0.09 D 0.03 F 0.03 Y 0.02 K 0.01 C Shift Assignments>> C :: 172.578 CA :: 43.967 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.068 HA2 :: 3.774 HA3 :: 3.555 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.925 Ave N Shift Values>> N :: 109.91(4.29) 1.H40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.55 C 0.44 C Shift Assignments>> C :: 174.330 CA :: 55.886 CB :: 30.507 CD2 :: 119.480 CE1 :: 137.852 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 :: 9.111 HA :: 4.650 HB2 :: 3.009 HB3 :: 2.654 HD2 :: 7.067 HE1 :: 7.523 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 :: 119.179 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.L41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.39 C 0.26 L 0.26 R 0.07 C Shift Assignments>> C :: 176.035 CA :: 55.621 CB :: 45.091 CG :: 27.959 CD1 :: 25.951 CD2 :: 25.118 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 :: 8.254 HA :: 4.626 HB2 :: 1.461 HB3 :: 1.179 HG :: 1.360 HD11 :: 0.636 HD12 :: 0.636 HD13 :: 0.636 HD21 :: 0.533 HD22 :: 0.533 HD23 :: 0.533 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 :: 124.808 Ave N Shift Values>> N :: 121.98(4.07) 1.I42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.54 C 0.45 C Shift Assignments>> C :: 175.369 CA :: 59.852 CB :: 36.778 CG1 :: 27.135 CG2 :: 18.663 CD1 :: 13.131 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 :: 8.685 HA :: 4.578 HB :: 2.000 HG12 :: 1.293 HG13 :: 1.018 HG21 :: 0.647 HG22 :: 0.647 HG23 :: 0.647 HD11 :: 0.337 HD12 :: 0.337 HD13 :: 0.337 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 121.814 Ave N Shift Values>> N :: 121.6(4.72) 1.R43 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.52 C 0.47 C Shift Assignments>> C :: 174.029 CA :: 52.730 CB :: 36.983(S) CG :: 32.244 CD :: 44.161 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 :: 8.787 HA :: 4.852 HB2 :: 2.061 HB3 :: 1.616 HG2 :: 1.620 HG3 :: 1.319 HD2 :: 3.696 HD3 :: 3.120 HE :: 8.310 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 :: 125.771 NE :: 86.343 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.V44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.64 C 0.35 HN Overlap>> 1.R61 1.R61 C Shift Assignments>> C :: 173.227 CA :: 63.161 CB :: 29.054 CG1 :: 22.847 CG2 :: 21.315 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 :: 8.661 HA :: 3.276 HB :: 2.425 HG11 :: 0.803 HG12 :: 0.803 HG13 :: 0.803 HG21 :: 0.907 HG22 :: 0.907 HG23 :: 0.907 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 117.026 Ave N Shift Values>> N :: 121.02(4.96) 1.I45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.57 C 0.42 C Shift Assignments>> C :: 178.108 CA :: 59.888 CB :: 36.998 CG1 :: 28.069 CG2 :: 17.459 CD1 :: 12.825 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 :: 8.464 HA :: 4.579 HB :: 1.770 HG12 :: 1.352 HG13 :: 0.830 HG21 :: 0.676 HG22 :: 0.676 HG23 :: 0.676 HD11 :: 0.498 HD12 :: 0.498 HD13 :: 0.498 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 122.767 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 0.37 C 0.35 M 0.13 K 0.06 Q 0.03 I 0.03 C Shift Assignments>> C :: 177.746 CA :: 56.130 CB :: 30.581 CG :: 36.370 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 9.015 HA :: 4.206 HB2 :: 1.973 HB3 :: 1.973 HG2 :: 2.294 HG3 :: 2.207 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 :: 131.076 Ave N Shift Values>> N :: 120.68(3.68) 1.E47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.35 C 0.34 I 0.13 K 0.09 Q 0.03 M 0.03 C Shift Assignments>> C :: 178.088 CA :: 58.212 CB :: 29.390 CG :: 36.360 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 9.213 HA :: 4.194 HB2 :: 2.020 HB3 :: 2.020 HG2 :: 2.440 HG3 :: 2.295 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 :: 129.592 Ave N Shift Values>> N :: 120.68(3.68) 1.G48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.09 L 0.07 R 0.01 C Shift Assignments>> C :: 173.790 CA :: 45.764 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.586 HA2 :: 4.141 HA3 :: 3.757 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 114.819 Ave N Shift Values>> N :: 109.91(4.29) 1.S49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.542 CA :: 57.560 CB :: 64.529 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.580 HA :: 4.728 HB2 :: 3.892 HB3 :: 3.892 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 114.688 Ave N Shift Values>> N :: 116.3(3.95) 1.P50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.65 C 0.34 C Shift Assignments>> C :: 179.377 CA :: 66.059 CB :: 32.598 CG :: 28.769 CD :: 50.745 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 :: 4.431 HB2 :: 3.035 HB3 :: 2.321 HG2 :: 2.311 HG3 :: 2.219 HD2 :: 4.044 HD3 :: 3.947 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.A51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.45 A 0.29 L 0.09 C 0.08 V 0.04 T 0.02 C Shift Assignments>> C :: 177.508 CA :: 55.392 CB :: 20.474 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.264 HA :: 3.817 HB1 :: 1.447 HB2 :: 1.447 HB3 :: 1.447 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 117.604 Ave N Shift Values>> N :: 123.23(3.7) 1.E52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 E 0.32 I 0.25 M 0.02 K 0.02 C Shift Assignments>> C :: 181.401 CA :: 59.454 CB :: 30.247 CG :: 37.257 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 :: 7.794 HA :: 3.881 HB2 :: 2.309 HB3 :: 2.114 HG2 :: 2.278 HG3 :: 2.140 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 :: 119.474 Ave N Shift Values>> N :: 120.68(3.68) 1.K53 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.4 C 0.37 R 0.19 M 0.01 HN Overlap>> 1.N26 1.N26 C Shift Assignments>> C :: 177.939 CA :: 59.012 CB :: 32.438 CG :: 25.549 CD :: 29.195 CE :: 41.969 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 :: 8.557 HA :: 4.020 HB2 :: 1.933 HB3 :: 1.933 HG2 :: 1.570 HG3 :: 1.498 HD2 :: 2.963(S) HE2 :: 2.951 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 120.057 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) SRO Rule Breaks>> (HE2 > HD2 : 0.9981) 1.A54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.67 M 0.19 L 0.06 C 0.05 C Shift Assignments>> C :: 177.658 CA :: 52.412 CB :: 20.739 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.764 HA :: 4.400 HB1 :: 1.400 HB2 :: 1.400 HB3 :: 1.400 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 117.678 Ave N Shift Values>> N :: 123.23(3.7) 1.G55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.78 L 0.08 C 0.07 R 0.03 C Shift Assignments>> C :: 175.232 CA :: 45.368 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.583 HA2 :: 4.266 HA3 :: 3.775 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 103.265 Ave N Shift Values>> N :: 109.91(4.29) 1.L56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.54 C 0.27 R 0.12 G 0.03 C Shift Assignments>> C :: 174.708 CA :: 55.603 CB :: 42.752 CG :: 26.874 CD1 :: 24.416 CD2 :: 25.905 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 :: 7.280 HA :: 3.984 HB2 :: 1.404 HB3 :: 1.014 HG :: 1.439 HD11 :: 0.634 HD12 :: 0.634 HD13 :: 0.634 HD21 :: 0.239 HD22 :: 0.239 HD23 :: 0.239 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 :: 119.211 Ave N Shift Values>> N :: 121.98(4.07) 1.L57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.52 L 0.29 C 0.12 A 0.04 C Shift Assignments>> C :: 176.124 CA :: 52.959 CB :: 45.122 CG :: 26.284 CD1 :: 25.404 CD2 :: 23.014 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 :: 8.693 HA :: 4.499 HB2 :: 1.858 HB3 :: 1.208 HG :: 1.535 HD11 :: 0.860 HD12 :: 0.860 HD13 :: 0.860 HD21 :: 0.825 HD22 :: 0.825 HD23 :: 0.825 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 :: 121.969 Ave N Shift Values>> N :: 121.98(4.07) 1.D58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.22 K 0.2 R 0.14 D 0.12 C 0.1 F 0.09 Y 0.07 N 0.01 C Shift Assignments>> C :: 178.636 CA :: 56.079 CB :: 42.135 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 :: 8.334 HA :: 4.139 HB2 :: 2.617 HB3 :: 2.571 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 120.401 Ave N Shift Values>> N :: 120.73(4.2) 1.G59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 C 0.08 L 0.08 R 0.02 C Shift Assignments>> C :: 173.359 CA :: 45.517 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.378 HA2 :: 4.317 HA3 :: 3.260 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 116.622 Ave N Shift Values>> N :: 109.91(4.29) 1.D60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.25 K 0.17 R 0.16 D 0.14 C 0.1 F 0.07 Y 0.05 N 0.01 C Shift Assignments>> C :: 175.555 CA :: 55.286 CB :: 42.381 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 :: 8.009 HA :: 4.638 HB2 :: 2.630 HB3 :: 2.070 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 :: 121.370 Ave N Shift Values>> N :: 120.73(4.2) 1.R61 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.49 G 0.2 K 0.17 R 0.11 HN Overlap>> 1.V44 1.V44 C Shift Assignments>> C :: 177.381 CA :: 53.704 CB :: 34.017 CG :: 29.277 CD :: 43.637 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 :: 8.648 HA :: 5.179 HB2 :: 1.542 HB3 :: 1.104 HG2 :: 0.836 HG3 :: -0.005(S) HD2 :: 2.879 HD3 :: 2.391(S) HE :: 6.252 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 116.958 NE :: 86.215 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.V62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.76 C 0.23 C Shift Assignments>> C :: 174.748 CA :: 63.149 CB :: 32.574 CG1 :: 22.862 CG2 :: 22.759 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 :: 8.247 HA :: 3.806 HB :: 1.800 HG11 :: 0.734 HG12 :: 0.734 HG13 :: 0.734 HG21 :: 0.585 HG22 :: 0.585 HG23 :: 0.585 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 118.546 Ave N Shift Values>> N :: 121.02(4.96) 1.L63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.41 C 0.27 R 0.22 G 0.07 C Shift Assignments>> C :: 177.649 CA :: 56.044 CB :: 43.339 CG :: 27.650 CD1 :: 26.357 CD2 :: 23.709 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 :: 9.262 HA :: 4.412 HB2 :: 1.788 HB3 :: 1.640 HG :: 1.792 HD11 :: 0.991 HD12 :: 0.991 HD13 :: 0.991 HD21 :: 1.021 HD22 :: 1.021 HD23 :: 1.021 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 :: 125.413 Ave N Shift Values>> N :: 121.98(4.07) 1.R64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.63 G 0.24 K 0.1 R 0.02 C Shift Assignments>> C :: 175.091 CA :: 54.148 CB :: 35.742 CG :: 29.525 CD :: 43.659 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 :: 7.806 HA :: 5.704 HB2 :: 1.840 HB3 :: 1.156 HG2 :: 1.655 HG3 :: 1.544 HD2 :: 3.100 HD3 :: 2.939 HE :: 7.963 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 :: 112.961 NE :: 85.787 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.I65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.51 C 0.48 C Shift Assignments>> C :: 175.722 CA :: 60.501 CB :: 39.547 CG1 :: 27.119 CG2 :: 15.962 CD1 :: 16.747 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 :: 8.327 HA :: 4.384 HB :: 1.424 HG12 :: 1.291 HG13 :: 0.634 HG21 :: 0.726 HG22 :: 0.726 HG23 :: 0.726 HD11 :: 0.575 HD12 :: 0.575 HD13 :: 0.575 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 119.175 Ave N Shift Values>> N :: 121.6(4.72) 1.N66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.29 C 0.27 E 0.12 Y 0.1 M 0.06 F 0.05 D 0.04 K 0.01 I 0.01 C Shift Assignments>> C :: 175.349 CA :: 54.157 CB :: 37.024 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 :: 9.911 HA :: 4.428 HB2 :: 3.043 HB3 :: 3.043 HD21 :: 7.805 HD22 :: 7.580 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 :: 128.952 ND2 :: 114.699 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.G67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.78 L 0.08 C 0.07 R 0.03 C Shift Assignments>> C :: 174.393 CA :: 45.341 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.230 HA2 :: 4.322 HA3 :: 3.508 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 103.238 Ave N Shift Values>> N :: 109.91(4.29) 1.V68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.76 C 0.23 C Shift Assignments>> C :: 175.833 CA :: 62.603 CB :: 32.574 CG1 :: 21.530 CG2 :: 20.706 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 :: 8.063 HA :: 4.015 HB :: 2.150 HG11 :: 0.992 HG12 :: 0.992 HG13 :: 0.992 HG21 :: 0.866 HG22 :: 0.866 HG23 :: 0.866 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 :: 125.696 Ave N Shift Values>> N :: 121.02(4.96) 1.F69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 F 0.47 C Shift Assignments>> C :: 177.120 CA :: 59.200 CB :: 39.320 CD1 :: 132.911 CD2 :: 132.911 CE1 :: 131.043 CE2 :: 131.043 CZ :: 131.425 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 :: 9.301 HA :: 4.947 HB2 :: 3.180 HB3 :: 3.026 HD1 :: 7.297 HD2 :: 7.297 HE1 :: 7.252 HE2 :: 7.252 HZ :: 7.452 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 :: 128.641 Ave N Shift Values>> N :: 120.69(4.18) 1.V70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.61 V 0.37 C Shift Assignments>> CA :: 60.734 CB :: 32.976 CG1 :: 20.630 CG2 :: 17.967 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 :: 8.312 HA :: 4.517 HB :: 2.266 HG11 :: 0.717 HG12 :: 0.717 HG13 :: 0.717 HG21 :: 0.304 HG22 :: 0.304 HG23 :: 0.304 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 118.381 Ave N Shift Values>> N :: 121.02(4.96) 1.D71 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> G 0.65 C 0.22 L 0.07 R 0.02 F 0.01 C Shift Assignments>> C :: 174.896 CA :: 58.334 CB :: 46.097 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 :: 5.373(A) HA :: 4.413 HB2 :: 2.286 HB3 :: 2.188 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 :: 119.008 Ave N Shift Values>> N :: 120.73(4.2) 1.K72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.38 R 0.29 C 0.27 M 0.02 G 0.01 C Shift Assignments>> C :: 177.209 CA :: 54.122 CB :: 31.640 CG :: 24.580 CD :: 28.288 CE :: 42.249 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 :: 7.874 HA :: 4.522 HB2 :: 2.125 HB3 :: 1.754 HG2 :: 1.630 HG3 :: 1.475 HD2 :: 1.735 HD3 :: 1.687 HE2 :: 3.106 HE3 :: 3.065 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 110.259 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.E73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 E 0.34 M 0.14 K 0.08 Q 0.06 I 0.01 C Shift Assignments>> C :: 176.728 CA :: 54.950 CB :: 30.390 CG :: 36.047 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 :: 7.421 HA :: 4.401 HB2 :: 2.039 HB3 :: 1.781 HG2 :: 2.330 HG3 :: 2.222 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 :: 120.043 Ave N Shift Values>> N :: 120.68(3.68) 1.E74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.38 C 0.37 M 0.1 K 0.05 I 0.05 Q 0.02 C Shift Assignments>> C :: 178.234 CA :: 56.516 CB :: 30.390 CG :: 36.633 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 9.360 HA :: 4.403 HB2 :: 2.333 HB3 :: 2.087 HG2 :: 2.502 HG3 :: 2.479 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 :: 122.193 Ave N Shift Values>> N :: 120.68(3.68) 1.H75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.72 H 0.27 C Shift Assignments>> C :: 175.985 CA :: 61.016 CB :: 29.468 CD2 :: 124.901 CE1 :: 137.924 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 :: 9.553 HA :: 4.080 HB2 :: 3.381 HB3 :: 3.301 HD2 :: 7.028 HE1 :: 7.688 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 123.587 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.A76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.57 A 0.32 I 0.04 C 0.03 C Shift Assignments>> C :: 180.475 CA :: 55.392 CB :: 18.182 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.129 HA :: 3.826 HB1 :: 1.458 HB2 :: 1.458 HB3 :: 1.458 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 117.795 Ave N Shift Values>> N :: 123.23(3.7) 1.Q77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.26 Q 0.25 K 0.24 E 0.1 R 0.07 M 0.03 I 0.01 C Shift Assignments>> C :: 177.860 CA :: 57.790 CB :: 28.536 CG :: 33.725 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 :: 7.099 HA :: 4.198 HB2 :: 2.236 HB3 :: 2.089 HG2 :: 2.491 HG3 :: 2.301 HE21 :: 7.431 HE22 :: 6.814 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 :: 115.764 NE2 :: 111.433 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.V78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.96 C 0.03 C Shift Assignments>> C :: 177.042 CA :: 67.299 CB :: 30.819 CG1 :: 21.726 CG2 :: 22.467 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 :: 7.430 HA :: 3.241 HB :: 1.705 HG11 :: 0.427 HG12 :: 0.427 HG13 :: 0.427 HG21 :: 0.124 HG22 :: 0.124 HG23 :: 0.124 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 :: 121.143 Ave N Shift Values>> N :: 121.02(4.96) 1.V79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.96 C 0.03 C Shift Assignments>> C :: 179.179 CA :: 66.694 CB :: 31.841 CG1 :: 22.364 CG2 :: 21.233 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 :: 7.773 HA :: 3.315 HB :: 1.831 HG11 :: 0.587 HG12 :: 0.587 HG13 :: 0.587 HG21 :: 0.848 HG22 :: 0.848 HG23 :: 0.848 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 117.473 Ave N Shift Values>> N :: 121.02(4.96) 1.E80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 E 0.28 K 0.15 Q 0.12 I 0.09 M 0.02 R 0.01 C Shift Assignments>> C :: 178.018 CA :: 58.566 CB :: 29.072 CG :: 35.403 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 :: 7.410 HA :: 4.258 HB2 :: 2.094 HB3 :: 1.986 HG2 :: 2.364 HG3 :: 2.201 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 :: 120.451 Ave N Shift Values>> N :: 120.68(3.68) 1.L81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.51 C 0.35 R 0.1 G 0.01 C Shift Assignments>> C :: 180.658 CA :: 58.061 CB :: 42.115 CG :: 26.800 CD1 :: 25.784 CD2 :: 22.515 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 :: 8.070 HA :: 3.976 HB2 :: 2.015 HB3 :: 1.233 HG :: 1.846 HD11 :: 0.782 HD12 :: 0.782 HD13 :: 0.782 HD21 :: 0.828 HD22 :: 0.828 HD23 :: 0.828 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 :: 119.943 Ave N Shift Values>> N :: 121.98(4.07) 1.V82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.96 C 0.03 C Shift Assignments>> C :: 178.927 CA :: 67.398 CB :: 31.306 CG1 :: 23.130 CG2 :: 21.718 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 :: 7.609 HA :: 3.474 HB :: 2.242 HG11 :: 0.982 HG12 :: 0.982 HG13 :: 0.982 HG21 :: 0.960 HG22 :: 0.960 HG23 :: 0.960 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 118.150 Ave N Shift Values>> N :: 121.02(4.96) 1.R83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.47 C 0.38 K 0.07 G 0.06 C Shift Assignments>> C :: 179.999 CA :: 60.205 CB :: 30.103 CG :: 27.135 CD :: 43.006 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 :: 8.186 HA :: 3.994 HB2 :: 2.007 HB3 :: 1.928 HG2 :: 1.736 HG3 :: 1.560 HD2 :: 3.297 HD3 :: 3.098 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 :: 122.902 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.K84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.37 C 0.36 R 0.23 M 0.01 C Shift Assignments>> C :: 176.934 CA :: 58.142 CB :: 32.492 CG :: 25.613 CD :: 29.206 CE :: 42.134 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 :: 8.772 HA :: 4.047 HB2 :: 1.897 HB3 :: 1.897 HG2 :: 1.627 HG3 :: 1.505 HD2 :: 1.658 HD3 :: 1.658 HE2 :: 2.980 HE3 :: 2.980 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 :: 117.548 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.S85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.588 CA :: 59.535 CB :: 63.571 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.333 HA :: 4.235 HB2 :: 4.141 HB3 :: 4.013 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 :: 113.544 Ave N Shift Values>> N :: 116.3(3.95) 1.G86 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 :: 176.407 CA :: 46.109 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.459 HA2 :: 4.176 HA3 :: 3.762 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 104.331 Ave N Shift Values>> N :: 109.91(4.29) 1.N87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.3 C 0.2 D 0.14 Y 0.13 F 0.1 E 0.04 L 0.03 I 0.01 M 0.01 C Shift Assignments>> C :: 173.653 CA :: 54.492 CB :: 38.425 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>> HA :: 4.650 HB2 :: 3.664 HB3 :: 2.654 HD21 :: 7.577 HD22 :: 7.236 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 :: 118.401 ND2 :: 113.475 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.S88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.93 T 0.06 C Shift Assignments>> C :: 172.867 CA :: 58.160 CB :: 65.861 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.435 HA :: 5.438 HB2 :: 3.889 HB3 :: 3.889 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 :: 113.765 Ave N Shift Values>> N :: 116.3(3.95) 1.V89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.57 C 0.41 I 0.01 HN Overlap>> 1.D97 1.D97 C Shift Assignments>> C :: 171.391 CA :: 61.333 CB :: 33.897 CG1 :: 22.640 CG2 :: 19.679 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 :: 8.452 HA :: 4.519 HB :: 2.172 HG11 :: 0.900 HG12 :: 0.900 HG13 :: 0.900 HG21 :: 0.398 HG22 :: 0.398 HG23 :: 0.398 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 :: 120.001 Ave N Shift Values>> N :: 121.02(4.96) 1.T90 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 :: 173.926 CA :: 61.403 CB :: 69.553 CG2 :: 22.441 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 :: 8.348 HA :: 5.042 HB :: 4.088 HG21 :: 0.991 HG22 :: 0.991 HG23 :: 0.991 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 :: 123.477 Ave N Shift Values>> N :: 115.7(5.05) 1.L91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.56 L 0.27 C 0.14 R 0.01 C Shift Assignments>> C :: 174.564 CA :: 52.590 CB :: 44.998 CG :: 26.785 CD1 :: 26.454 CD2 :: 25.071 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 :: 9.195 HA :: 5.161 HB2 :: 1.501 HB3 :: 1.096 HG :: 1.442 HD11 :: 0.405 HD12 :: 0.405 HD13 :: 0.405 HD21 :: 0.659 HD22 :: 0.659 HD23 :: 0.659 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 :: 128.419 Ave N Shift Values>> N :: 121.98(4.07) 1.L92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.34 G 0.26 C 0.22 R 0.13 A 0.02 C Shift Assignments>> C :: 176.451 CA :: 54.220 CB :: 44.323 CG :: 27.814 CD1 :: 26.471 CD2 :: 23.289 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 :: 8.644 HA :: 5.335 HB2 :: 1.831 HB3 :: 1.525 HG :: 1.324 HD11 :: 0.963 HD12 :: 0.963 HD13 :: 0.963 HD21 :: 0.843 HD22 :: 0.843 HD23 :: 0.843 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 :: 125.894 Ave N Shift Values>> N :: 121.98(4.07) 1.V93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.85 V 0.06 I 0.05 A 0.03 C Shift Assignments>> C :: 173.550 CA :: 58.340 CB :: 36.159 CG1 :: 21.789 CG2 :: 18.069 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 9.249 HA :: 5.573 HB :: 1.880 HG11 :: 0.613 HG12 :: 0.613 HG13 :: 0.613 HG21 :: 0.812 HG22 :: 0.812 HG23 :: 0.812 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 :: 120.660 Ave N Shift Values>> N :: 121.02(4.96) 1.L94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.6 G 0.2 A 0.1 L 0.08 C Shift Assignments>> C :: 174.172 CA :: 52.659 CB :: 47.910 CG :: 26.770 CD1 :: 23.673 CD2 :: 26.201 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 :: 8.634 HA :: 4.911 HB2 :: 1.821 HB3 :: 1.274 HG :: 2.012 HD11 :: 0.951 HD12 :: 0.951 HD13 :: 0.951 HD21 :: 0.705 HD22 :: 0.705 HD23 :: 0.705 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 :: 120.304 Ave N Shift Values>> N :: 121.98(4.07) 1.D95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.29 L 0.19 K 0.11 N 0.11 C 0.1 F 0.07 Y 0.06 R 0.03 C Shift Assignments>> C :: 175.887 CA :: 53.899 CB :: 41.188 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 :: 8.210 HA :: 5.190 HB2 :: 2.918 HB3 :: 2.563 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 122.184 Ave N Shift Values>> N :: 120.73(4.2) 1.G96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.72 A 0.11 N 0.06 D 0.02 C 0.02 C Shift Assignments>> C :: 175.497 CA :: 49.944 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.478 HA2 :: 4.002 HA3 :: 3.757 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.610 Ave N Shift Values>> N :: 109.91(4.29) 1.D97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.21 K 0.18 Y 0.16 C 0.14 L 0.12 D 0.06 I 0.04 R 0.04 HN Overlap>> 1.V89 1.V89 C Shift Assignments>> C :: 179.612 CA :: 57.913 CB :: 41.145 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 :: 8.401 HA :: 4.454 HB2 :: 2.745 HB3 :: 2.673 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 120.034 Ave N Shift Values>> N :: 120.73(4.2) 1.S98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.061 CA :: 62.180 CB :: 62.179 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.152 HA :: 4.218 HB2 :: 3.973 HB3 :: 3.726 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 :: 117.174 Ave N Shift Values>> N :: 116.3(3.95) 1.Y99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.71 C 0.28 C Shift Assignments>> C :: 176.460 CA :: 62.814 CB :: 38.829 CD1 :: 131.949 CD2 :: 131.949 CE1 :: 118.932 CE2 :: 118.932 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 :: 9.051 HA :: 3.692 HB2 :: 3.146 HB3 :: 2.631 HD1 :: 6.655 HD2 :: 6.655 HE1 :: 6.524 HE2 :: 6.524 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 :: 123.539 Ave N Shift Values>> N :: 120.79(4.69) 1.E100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.37 C 0.33 E 0.25 K 0.02 C Shift Assignments>> C :: 180.151 CA :: 60.099 CB :: 29.435 CG :: 37.335 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 :: 8.520 HA :: 3.952 HB2 :: 2.252 HB3 :: 2.091 HG2 :: 2.832 HG3 :: 2.372 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 :: 117.082 Ave N Shift Values>> N :: 120.68(3.68) 1.K101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 K 0.36 R 0.23 G 0.01 M 0.01 C Shift Assignments>> C :: 178.377 CA :: 59.888 CB :: 32.821 CG :: 25.871 CD :: 29.442 CE :: 42.134 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 :: 7.740 HA :: 3.984 HB2 :: 2.026 HB3 :: 2.026 HG2 :: 1.652 HG3 :: 1.458 HD2 :: 1.688 HD3 :: 1.688 HE2 :: 2.951 HE3 :: 2.951 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 :: 119.851 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.A102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.65 A 0.26 I 0.05 C 0.02 C Shift Assignments>> C :: 179.870 CA :: 55.285 CB :: 17.163 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.538 HA :: 3.632 HB1 :: 0.852 HB2 :: 0.852 HB3 :: 0.852 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.176 Ave N Shift Values>> N :: 123.23(3.7) 1.V103 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 :: 181.113 CA :: 66.090 CB :: 31.822 CG1 :: 22.602 CG2 :: 21.165 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 :: 8.147 HA :: 3.658 HB :: 1.940 HG11 :: 0.636 HG12 :: 0.636 HG13 :: 0.636 HG21 :: 0.831 HG22 :: 0.831 HG23 :: 0.831 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 117.841 Ave N Shift Values>> N :: 121.02(4.96) 1.K104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.41 C 0.37 R 0.18 M 0.02 C Shift Assignments>> C :: 177.715 CA :: 59.094 CB :: 32.285 CG :: 25.147 CD :: 29.277 CE :: 42.052 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 :: 7.903 HA :: 4.065 HB2 :: 1.932 HB3 :: 1.932 HG2 :: 1.554 HG3 :: 1.488 HD2 :: 1.668 HE2 :: 2.975 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 121.515 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.N105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.37 D 0.23 C 0.14 Y 0.08 F 0.07 L 0.05 C Shift Assignments>> C :: 173.320 CA :: 53.399 CB :: 39.249 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 7.747 HA :: 4.721 HB2 :: 2.975 HB3 :: 2.630 HD21 :: 7.722 HD22 :: 7.150 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 :: 114.941 ND2 :: 113.179 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.Q106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 K 0.3 Q 0.13 R 0.05 E 0.03 M 0.03 I 0.02 C Shift Assignments>> C :: 175.168 CA :: 56.978 CB :: 25.770 CG :: 34.469 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 :: 7.850 HA :: 3.902 HB2 :: 2.244 HB3 :: 2.184 HG2 :: 2.250 HG3 :: 2.250 HE21 :: 7.529 HE22 :: 6.771 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 114.989 NE2 :: 112.562 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.V107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.75 C 0.24 C Shift Assignments>> C :: 175.468 CA :: 62.726 CB :: 32.535 CG1 :: 22.725 CG2 :: 20.624 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 :: 8.005 HA :: 3.664 HB :: 1.573 HG11 :: 0.887 HG12 :: 0.887 HG13 :: 0.887 HG21 :: 0.617 HG22 :: 0.617 HG23 :: 0.617 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 :: 120.216 Ave N Shift Values>> N :: 121.02(4.96) 1.D108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 N 0.27 C 0.12 L 0.1 F 0.07 Y 0.07 K 0.02 C Shift Assignments>> C :: 177.179 CA :: 53.417 CB :: 40.030 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 :: 8.484 HA :: 4.467 HB2 :: 2.818 HB3 :: 2.521 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 :: 125.414 Ave N Shift Values>> N :: 120.73(4.2) 1.L109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.51 C 0.32 R 0.12 A 0.01 G 0.01 C Shift Assignments>> C :: 178.145 CA :: 56.573 CB :: 42.011 CG :: 26.795 CD1 :: 26.770 CD2 :: 22.910 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 :: 8.470 HA :: 3.846 HB2 :: 2.032 HB3 :: 1.620 HG :: 1.665 HD11 :: 0.729 HD12 :: 0.729 HD13 :: 0.729 HD21 :: 0.470 HD22 :: 0.470 HD23 :: 0.470 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 :: 127.577 Ave N Shift Values>> N :: 121.98(4.07) 1.K110 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.4 C 0.37 R 0.18 M 0.03 C Shift Assignments>> C :: 177.248 CA :: 58.742 CB :: 31.667 CG :: 24.365 CD :: 29.034 CE :: 41.557 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 :: 8.062 HA :: 3.022 HB2 :: 1.253 HB3 :: 1.179 HG2 :: 0.516 HG3 :: 0.381(S) HD2 :: 1.384 HD3 :: 1.384 HE2 :: 2.820 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 118.873 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.E111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.35 C 0.33 K 0.1 M 0.09 Q 0.07 I 0.02 C Shift Assignments>> C :: 176.519 CA :: 55.621 CB :: 29.943 CG :: 36.060 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.113 HA :: 4.117 HB2 :: 2.167 HB3 :: 1.782 HG2 :: 2.206 HG3 :: 2.032 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 :: 114.282 Ave N Shift Values>> N :: 120.68(3.68) 1.L112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.59 C 0.28 R 0.08 K 0.01 C Shift Assignments>> C :: 175.674 CA :: 55.197 CB :: 41.681 CG :: 26.951 CD1 :: 26.415 CD2 :: 23.916 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 6.848 HA :: 4.293 HB2 :: 1.677 HB3 :: 1.331 HG :: 1.671 HD11 :: 0.784 HD12 :: 0.784 HD13 :: 0.784 HD21 :: 0.814 HD22 :: 0.814 HD23 :: 0.814 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 :: 118.934 Ave N Shift Values>> N :: 121.98(4.07) 1.D113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.27 D 0.22 R 0.13 K 0.11 C 0.1 F 0.04 N 0.04 Y 0.03 G 0.01 C Shift Assignments>> C :: 174.511 CA :: 53.558 CB :: 42.448 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 :: 8.466 HA :: 4.593 HB2 :: 2.651 HB3 :: 2.528 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 122.148 Ave N Shift Values>> N :: 120.73(4.2) 1.Q114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.26 Q 0.21 E 0.19 M 0.14 K 0.14 I 0.01 R 0.01 C Shift Assignments>> C :: 180.341 CA :: 57.454 CB :: 30.395 CG :: 34.315 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.119 HA :: 4.097 HB2 :: 1.984 HB3 :: 1.924 HG2 :: 2.240 HG3 :: 2.240 HE21 :: 7.616 HE22 :: 6.771 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 123.906 NE2 :: 112.963 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) ########################################################################### Overall Results: #Consistent: 108 #Clerical: 0 #Suspicious: 3 #Anomalous: 2 #Mistyped: 1 #Indeterminable: 0 Typing Results: #Consistent: 108 #Suspicious: 0 #Mistyped: 1 #Indeterminable: 5 Shift Relative Order (SRO) Results: #Consistent: 113 #Suspicious: 1 C Shift Results: #Consistent: 480 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 H Shift Results: #Consistent: 766 #Duplicate: 0 #Unknown: 0 #Suspicious: 5 #Anomalous: 2 N Shift Results: #Consistent: 120 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.K21 HD2 = 0.644(S), Expected = 1.61, Std = 0.2500, ChiSquare = 1.1155e-04 1.K21 HD3 = -0.567(A), Expected = 1.61, Std = 0.2500, ChiSquare = 3.0928e-18 1.R43 Typing: Mistyped 1.R43 CB = 36.983(S), Expected = 30.66, Std = 1.7700, ChiSquare = 3.5384e-04 1.K53 HD2 = 2.963(S), Expected = 1.61, Std = 0.2500, ChiSquare = 6.2325e-08 1.K53 SRO Rule Break>> HE2 > HD2 : 0.998085513720485 1.R61 HG3 = -0.005(S), Expected = 1.58, Std = 0.2700, ChiSquare = 4.3482e-09 1.R61 HD3 = 2.391(S), Expected = 3.13, Std = 0.2200, ChiSquare = 7.8199e-04 1.D71 H = 5.373(A), Expected = 8.33, Std = 0.5700, ChiSquare = 2.1289e-07 1.K110 HG3 = 0.381(S), Expected = 1.37, Std = 0.2900, ChiSquare = 6.4881e-04