Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H4 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H5 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H6 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H7 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.L8 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.V9 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P10 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.R11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> E 0.2 R 0.2 H 0.16 Q 0.12 K 0.1 M 0.1 V 0.05 I 0.04 C Shift Assignments>> C :: 177.986 CA :: 58.210 CB :: 30.766 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) 1.G12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.91 L 0.04 A 0.01 C Shift Assignments>> CA :: 47.086 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.749 HA2 :: 3.847 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.535 Ave N Shift Values>> N :: 109.91(4.29) 1.M13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.12 R 0.1 Y 0.1 K 0.1 F 0.09 Q 0.09 H 0.08 M 0.07 S 0.07 L 0.05 D 0.02 I 0.01 V 0.01 T 0.01 HN Overlap>> 1.L65 1.N52 1.L65 1.N52 1.D72 1.D72 C Shift Assignments>> CA :: 57.410 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 :: 8.290 HA :: 4.460 HB2 :: 2.183 HB3 :: 2.183 HG2 :: 2.627 HG3 :: 2.716 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 119.416 Ave N Shift Values>> N :: 120.1(3.88) 1.R14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.67 K 0.25 P 0.03 M 0.02 HN Overlap>> 1.V40 1.V40 C Shift Assignments>> CA :: 58.998 CB :: 30.101 CG :: 27.786 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 :: 8.086 HA :: 4.165 HB2 :: 1.985 HB3 :: 1.985 HG2 :: 1.695 HG3 :: 1.784 HD2 :: 3.275 HD3 :: 3.285 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 :: 119.452 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.I15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.82 F 0.07 Y 0.07 V 0.02 C Shift Assignments>> CA :: 64.259 CB :: 37.936 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 :: 7.901 HA :: 3.874 HB :: 2.055 HG12 :: 1.233 HG13 :: 1.720 HG21 :: 0.922 HG22 :: 0.922 HG23 :: 0.922 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 :: 119.397 Ave N Shift Values>> N :: 121.6(4.72) 1.Y16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.5 Y 0.23 F 0.23 E 0.02 C Shift Assignments>> CA :: 61.293 CB :: 38.750 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 :: 8.115 HA :: 4.167 HB2 :: 3.113 HB3 :: 3.248 HD1 :: 7.022 HD2 :: 7.022 HE1 :: 6.779 HE2 :: 6.779 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 :: 120.219 Ave N Shift Values>> N :: 120.79(4.69) 1.K17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.19 K 0.18 R 0.14 M 0.13 E 0.11 H 0.09 Q 0.06 I 0.03 P 0.01 HN Overlap>> 1.H30 1.H30 C Shift Assignments>> CA :: 59.322 CB :: 32.242 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 :: 8.288 HA :: 4.479 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 :: 117.230 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.G18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.92 L 0.04 A 0.01 C Shift Assignments>> CA :: 47.012 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.055 HA2 :: 3.841 HA3 :: 3.972 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.805 Ave N Shift Values>> N :: 109.91(4.29) 1.V19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> CA :: 66.598 CB :: 31.578 CG1 :: 23.270 CG2 :: 23.234 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 :: 8.294 HA :: 3.715 HB :: 2.267 HG11 :: 0.940 HG12 :: 0.940 HG13 :: 0.940 HG21 :: 1.101 HG22 :: 1.101 HG23 :: 1.101 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 :: 122.660 Ave N Shift Values>> N :: 121.02(4.96) 1.I20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> 1.K49 1.D76 1.K49 1.D76 C Shift Assignments>> CA :: 64.222 CB :: 36.737 CG1 :: 28.725 CG2 :: 17.924 CD1 :: 12.039 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 :: 7.924 HA :: 3.684 HB :: 1.887 HG12 :: 1.164 HG13 :: 1.350 HG21 :: 0.856 HG22 :: 0.856 HG23 :: 0.856 HD11 :: 0.690 HD12 :: 0.690 HD13 :: 0.690 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 :: 118.359 Ave N Shift Values>> N :: 121.6(4.72) 1.Q21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.29 K 0.29 E 0.24 I 0.07 R 0.05 M 0.02 C Shift Assignments>> C :: 177.944 CA :: 58.808 CB :: 28.649 CG :: 34.460 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 :: 7.995 HA :: 3.984 HB2 :: 2.116 HB3 :: 2.215 HG2 :: 2.425 HG3 :: 2.556 HE21 :: 6.791 HE22 :: 7.429 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 :: 118.160 NE2 :: 110.829 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.A22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.49 A 0.46 I 0.02 C Shift Assignments>> CA :: 54.813 CB :: 18.630 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.795 HA :: 4.170 HB1 :: 1.557 HB2 :: 1.557 HB3 :: 1.557 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.258 Ave N Shift Values>> N :: 123.23(3.7) 1.I23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> I 0.83 V 0.13 T 0.02 C Shift Assignments>> CA :: 64.530 CG2 :: 17.633 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>> HA :: 4.497 HB :: 1.895 HG12 :: 1.169 HG13 :: 0.878 HG21 :: 0.861 HG22 :: 0.861 HG23 :: 0.861 HD11 :: 0.672 HD12 :: 0.672 HD13 :: 0.672 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) 1.Q24 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.K25 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 8.128 HA :: 4.261 HB2 :: 1.953 HB3 :: 1.953 HG2 :: 1.499 HD2 :: 1.721 HD3 :: 1.721 HE2 :: 3.011 HE3 :: 3.017 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 :: 119.007 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.S26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.566 CA :: 59.533 CB :: 64.072 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.898 HA :: 4.445 HB2 :: 3.987 HB3 :: 3.986 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 :: 115.535 Ave N Shift Values>> N :: 116.3(3.95) 1.D27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.33 N 0.23 L 0.14 F 0.11 Y 0.1 K 0.04 C Shift Assignments>> C :: 176.156 CA :: 54.125 CB :: 40.167 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 :: 8.332 HA :: 4.680 HB2 :: 2.794 HB3 :: 2.827 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 :: 120.820 Ave N Shift Values>> N :: 120.73(4.2) 1.E28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.29 E 0.29 K 0.27 M 0.07 I 0.02 R 0.02 C Shift Assignments>> C :: 176.622 CA :: 56.868 CB :: 29.250 CG :: 34.759 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 :: 8.176 HA :: 4.258 HB2 :: 2.026 HB3 :: 2.142 HG2 :: 2.417 HG3 :: 2.415 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 :: 119.365 Ave N Shift Values>> N :: 120.68(3.68) 1.G29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 L 0.08 R 0.02 C Shift Assignments>> CA :: 45.583 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.353 HA2 :: 3.896 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.963 Ave N Shift Values>> N :: 109.91(4.29) 1.H30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.2 K 0.19 H 0.19 R 0.15 E 0.1 L 0.09 M 0.03 I 0.01 HN Overlap>> 1.K17 1.K17 C Shift Assignments>> CA :: 54.938 CB :: 28.537 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 8.284 HA :: 5.008 HB2 :: 3.184 HB3 :: 3.292 HD2 :: 7.361 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 :: 117.233 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.P31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> CA :: 64.590 CD :: 50.456 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 :: 4.444 HB2 :: 2.178 HB3 :: 2.178 HG2 :: 1.028 HG3 :: 1.028 HD2 :: 3.685 HD3 :: 3.884 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.F32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.37 Y 0.29 F 0.27 E 0.03 C Shift Assignments>> CA :: 60.251 CB :: 38.767 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 :: 8.662 HA :: 4.579 HB2 :: 3.202 HB3 :: 3.408 HE1 :: 7.311 HE2 :: 7.311 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 :: 120.762 Ave N Shift Values>> N :: 120.69(4.18) 1.R33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.6 K 0.2 P 0.15 M 0.02 HN Overlap>> 1.N59 1.N59 C Shift Assignments>> CA :: 60.072 CB :: 30.271 CG :: 27.719 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 :: 8.547 HA :: 3.876 HB2 :: 1.995 HB3 :: 1.995 HG2 :: 1.722 HG3 :: 1.712 HD2 :: 3.215 HD3 :: 3.221 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 :: 119.746 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.A34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.53 A 0.42 I 0.02 HN Overlap>> 1.T61 1.T61 1.L46 1.L46 C Shift Assignments>> CA :: 54.897 CB :: 18.297 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.006 HA :: 4.171 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 :: 120.030 Ave N Shift Values>> N :: 123.23(3.7) 1.Y35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.45 Y 0.25 F 0.23 E 0.03 HN Overlap>> 1.K63 1.K63 C Shift Assignments>> CA :: 60.852 CB :: 38.482 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 7.847 HA :: 4.338 HB2 :: 3.108 HB3 :: 3.191 HD1 :: 7.057 HD2 :: 7.057 HE1 :: 6.779 HE2 :: 6.779 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 118.882 Ave N Shift Values>> N :: 120.79(4.69) 1.L36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.68 K 0.24 R 0.04 G 0.02 C Shift Assignments>> CA :: 57.795 CB :: 42.071 CD1 :: 25.778 CD2 :: 25.778 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 :: 3.923 HB2 :: 1.594 HB3 :: 1.790 HG :: 1.598 HD11 :: 0.914 HD12 :: 0.914 HD13 :: 0.914 HD21 :: 0.914 HD22 :: 0.914 HD23 :: 0.914 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 :: 118.851 Ave N Shift Values>> N :: 121.98(4.07) 1.E37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.29 K 0.26 Q 0.24 I 0.12 R 0.03 M 0.02 C Shift Assignments>> C :: 178.264 CA :: 59.251 CB :: 28.555 CG :: 34.800 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 :: 8.295 HA :: 4.000 HB2 :: 2.189 HB3 :: 2.195 HG2 :: 2.430 HG3 :: 2.636 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 :: 116.387 Ave N Shift Values>> N :: 120.68(3.68) 1.S38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.764 CA :: 60.984 CB :: 63.327 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.897 HA :: 4.359 HB2 :: 4.015 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 :: 114.377 Ave N Shift Values>> N :: 116.3(3.95) 1.E39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.36 Q 0.25 R 0.23 M 0.08 E 0.04 HN Overlap>> 1.L46 1.L46 C Shift Assignments>> CA :: 57.398 CB :: 28.536 CG :: 32.508 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 :: 7.898 HA :: 4.344 HB2 :: 2.154 HB3 :: 1.973 HG2 :: 2.150 HG3 :: 2.294 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 :: 119.899 Ave N Shift Values>> N :: 120.68(3.68) 1.V40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.52 P 0.4 I 0.06 HN Overlap>> 1.R14 1.R14 C Shift Assignments>> CA :: 65.324 CB :: 31.993 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 :: 8.083 HA :: 3.787 HB :: 2.215 HG11 :: 0.985 HG12 :: 0.985 HG13 :: 0.985 HG21 :: 1.034 HG22 :: 1.034 HG23 :: 1.034 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 :: 119.498 Ave N Shift Values>> N :: 121.02(4.96) 1.A41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.49 A 0.47 I 0.02 C Shift Assignments>> C :: 179.571 CA :: 54.659 CB :: 18.415 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.004 HA :: 4.252 HB1 :: 1.520 HB2 :: 1.520 HB3 :: 1.520 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.210 Ave N Shift Values>> N :: 123.23(3.7) 1.I42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> CA :: 62.912 CB :: 38.517 CG1 :: 28.715 CG2 :: 17.899 CD1 :: 13.790 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 :: 7.909 HA :: 4.098 HB :: 1.972 HG12 :: 1.301 HG13 :: 1.672 HG21 :: 1.001 HG22 :: 1.001 HG23 :: 1.001 HD11 :: 0.908 HD12 :: 0.908 HD13 :: 0.908 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 :: 117.558 Ave N Shift Values>> N :: 121.6(4.72) 1.S43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 61.273 CB :: 63.699 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.945 HA :: 4.308 HB2 :: 3.900 HB3 :: 3.909 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 :: 117.700 Ave N Shift Values>> N :: 116.3(3.95) 1.E44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.3 Q 0.3 E 0.17 I 0.08 R 0.08 M 0.02 P 0.01 C Shift Assignments>> C :: 175.544 CA :: 59.498 CB :: 28.275 CG :: 34.110 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 :: 8.492 HA :: 3.995 HB2 :: 2.157 HB3 :: 2.251 HG2 :: 2.423 HG3 :: 2.631 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 :: 121.129 Ave N Shift Values>> N :: 120.68(3.68) 1.E45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> K 0.2 Q 0.18 I 0.17 H 0.11 R 0.11 E 0.09 P 0.05 L 0.03 M 0.01 C Shift Assignments>> CB :: 28.502 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) 1.L46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.23 R 0.22 L 0.17 F 0.15 Y 0.11 D 0.04 I 0.02 G 0.01 HN Overlap>> 1.E39 1.A34 1.E39 1.A34 C Shift Assignments>> CA :: 58.018 CB :: 42.322 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 :: 7.993 HD11 :: 0.932 HD12 :: 0.932 HD13 :: 0.932 HD21 :: 0.932 HD22 :: 0.932 HD23 :: 0.932 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 :: 119.940 Ave N Shift Values>> N :: 121.98(4.07) 1.V47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> CA :: 66.637 CB :: 31.705 CG1 :: 21.741 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 :: 8.022 HA :: 3.696 HB :: 2.279 HG11 :: 1.016 HG12 :: 1.016 HG13 :: 1.016 HG21 :: 1.110 HG22 :: 1.110 HG23 :: 1.110 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 :: 117.418 Ave N Shift Values>> N :: 121.02(4.96) 1.Q48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.33 Q 0.32 E 0.15 R 0.08 I 0.04 M 0.03 C Shift Assignments>> CA :: 59.076 CB :: 28.663 CG :: 33.823 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 :: 8.072 HA :: 4.167 HB2 :: 2.175 HB3 :: 2.263 HG2 :: 2.456 HG3 :: 2.566 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 :: 118.632 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.K49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.78 R 0.2 G 0.01 HN Overlap>> 1.I20 1.I20 1.D76 1.D76 C Shift Assignments>> C :: 178.485 CA :: 58.885 CB :: 32.875 CG :: 25.049 CE :: 41.824 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 :: 7.928 HA :: 4.085 HG2 :: 1.033 HG3 :: 1.334 HD2 :: 1.494 HD3 :: 1.497 HE2 :: 2.904 HE3 :: 2.912 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 :: 118.459 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.Y50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.32 Y 0.31 I 0.29 E 0.02 L 0.01 D 0.01 C Shift Assignments>> C :: 176.920 CA :: 59.687 CB :: 39.248 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 :: 7.986 HA :: 4.671 HB2 :: 2.889 HB3 :: 3.283 HD1 :: 7.227 HD2 :: 7.227 HE1 :: 6.832 HE2 :: 6.832 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 116.315 Ave N Shift Values>> N :: 120.79(4.69) 1.S51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.237 CA :: 61.734 CB :: 63.211 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.147 HA :: 4.191 HB2 :: 4.022 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 :: 115.863 Ave N Shift Values>> N :: 116.3(3.95) 1.N52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.24 N 0.21 F 0.19 D 0.18 L 0.06 E 0.04 I 0.03 M 0.01 HN Overlap>> 1.M13 1.D72 1.M13 1.D72 C Shift Assignments>> C :: 177.021 CA :: 55.492 CB :: 38.791 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 :: 8.327 HA :: 4.682 HB2 :: 2.912 HB3 :: 2.905 HD21 :: 6.948 HD22 :: 7.661 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 :: 119.372 ND2 :: 112.565 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.S53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.904 CA :: 60.158 CB :: 63.715 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.118 HA :: 4.488 HB2 :: 4.054 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 :: 115.300 Ave N Shift Values>> N :: 116.3(3.95) 1.A54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.48 M 0.47 I 0.01 L 0.01 V 0.01 C Shift Assignments>> C :: 178.735 CA :: 54.777 CB :: 19.188 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.391 HA :: 4.252 HB1 :: 1.514 HB2 :: 1.514 HB3 :: 1.514 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.269 Ave N Shift Values>> N :: 123.23(3.7) 1.L55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.81 K 0.17 C Shift Assignments>> C :: 178.616 CA :: 57.263 CB :: 41.624 CD1 :: 24.725 CD2 :: 25.345 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 :: 4.162 HB2 :: 1.698 HB3 :: 1.843 HD11 :: 0.916 HD12 :: 0.916 HD13 :: 1.014 HD21 :: 1.014 HD22 :: 0.988 HD23 :: 1.014 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 :: 117.462 Ave N Shift Values>> N :: 121.98(4.07) 1.G56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.92 L 0.05 C Shift Assignments>> C :: 175.580 CA :: 46.634 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.185 HA2 :: 3.971 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.693 Ave N Shift Values>> N :: 109.91(4.29) 1.H57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.2 K 0.2 H 0.18 E 0.16 R 0.12 M 0.04 L 0.03 I 0.03 C Shift Assignments>> C :: 176.455 CA :: 56.669 CB :: 28.996 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 8.109 HA :: 4.842 HB2 :: 3.297 HB3 :: 3.398 HD2 :: 7.448 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 :: 117.616 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.V58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 176.629 CA :: 65.893 CB :: 31.960 CG1 :: 21.812 CG2 :: 22.677 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 :: 8.221 HA :: 3.891 HB :: 2.344 HG11 :: 1.030 HG12 :: 1.030 HG13 :: 1.030 HG21 :: 1.124 HG22 :: 1.124 HG23 :: 1.124 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 :: 121.032 Ave N Shift Values>> N :: 121.02(4.96) 1.N59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.31 F 0.24 N 0.11 D 0.11 E 0.08 I 0.06 L 0.04 M 0.01 HN Overlap>> 1.R33 1.R33 C Shift Assignments>> C :: 177.593 CA :: 56.450 CB :: 38.585 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 :: 8.552 HA :: 4.516 HB2 :: 2.871 HB3 :: 2.938 HD21 :: 6.865 HD22 :: 7.629 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 :: 119.755 ND2 :: 111.580 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.S60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.510 CA :: 61.310 CB :: 62.767 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.378 HA :: 4.274 HB2 :: 4.040 HB3 :: 4.042 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 :: 114.999 Ave N Shift Values>> N :: 116.3(3.95) 1.T61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 HN Overlap>> 1.A34 1.A34 C Shift Assignments>> C :: 176.080 CA :: 67.152 CB :: 68.310 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 :: 7.994 HA :: 4.056 HB :: 4.338 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 :: 120.110 Ave N Shift Values>> N :: 115.7(5.05) 1.I62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 177.364 CA :: 65.283 CB :: 37.272 CG1 :: 29.218 CG2 :: 17.880 CD1 :: 13.290 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 :: 8.361 HA :: 3.712 HB :: 2.101 HG12 :: 1.264 HG13 :: 1.774 HG21 :: 0.960 HG22 :: 0.960 HG23 :: 0.960 HD11 :: 0.911 HD12 :: 0.911 HD13 :: 0.911 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 :: 121.306 Ave N Shift Values>> N :: 121.6(4.72) 1.K63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.41 R 0.25 P 0.13 V 0.07 Q 0.06 M 0.02 I 0.02 HN Overlap>> 1.Y35 1.Y35 C Shift Assignments>> C :: 179.267 CA :: 60.213 CB :: 32.485 CG :: 25.671 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 :: 7.877 HA :: 3.982 HB2 :: 1.989 HB3 :: 2.243 HG2 :: 1.476 HG3 :: 1.676 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 :: 118.875 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.E64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.34 Q 0.33 E 0.12 R 0.12 M 0.04 I 0.02 HN Overlap>> 1.L70 1.L70 C Shift Assignments>> CA :: 58.339 CB :: 28.471 CG :: 33.583 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 :: 7.790 HA :: 4.297 HB2 :: 2.215 HB3 :: 2.315 HG2 :: 2.534 HG3 :: 2.505 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 :: 118.587 Ave N Shift Values>> N :: 120.68(3.68) 1.L65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.97 G 0.02 HN Overlap>> 1.M13 1.D72 1.M13 1.D72 C Shift Assignments>> CA :: 58.005 CB :: 41.922 CD1 :: 23.464 CD2 :: 23.405 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 :: 8.334 HA :: 4.105 HB2 :: 1.540 HB3 :: 2.005 HD11 :: 0.923 HD12 :: 0.923 HD13 :: 0.923 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 :: 119.503 Ave N Shift Values>> N :: 121.98(4.07) 1.R66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.58 K 0.29 P 0.06 M 0.04 C Shift Assignments>> CA :: 59.640 CB :: 30.323 CG :: 28.321 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 :: 8.286 HA :: 3.975 HG2 :: 1.684 HG3 :: 1.846 HD2 :: 3.219 HD3 :: 3.228 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 117.108 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.R67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.71 K 0.17 G 0.09 L 0.01 C Shift Assignments>> CA :: 58.730 CB :: 30.094 CG :: 27.678 CD :: 43.193 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 :: 7.636 HA :: 4.159 HB2 :: 1.997 HB3 :: 2.001 HG2 :: 1.683 HG3 :: 1.816 HD2 :: 3.258 HD3 :: 3.255 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 117.744 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.L68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.74 K 0.18 G 0.04 R 0.01 C Shift Assignments>> CA :: 57.115 CB :: 42.537 CD1 :: 23.841 CD2 :: 25.769 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 :: 7.966 HA :: 4.129 HB2 :: 1.436 HB3 :: 1.787 HD11 :: 0.919 HD12 :: 0.919 HD13 :: 0.847 HD21 :: 0.915 HD22 :: 0.900 HD23 :: 0.900 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 :: 118.954 Ave N Shift Values>> N :: 121.98(4.07) 1.F69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.33 Y 0.32 I 0.26 L 0.02 E 0.01 D 0.01 K 0.01 C Shift Assignments>> CA :: 59.486 CB :: 39.421 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 :: 8.030 HA :: 4.470 HB2 :: 3.102 HB3 :: 3.293 HD1 :: 7.169 HD2 :: 7.169 HE1 :: 7.342 HE2 :: 7.342 HZ :: 7.248 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 :: 115.739 Ave N Shift Values>> N :: 120.69(4.18) 1.L70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.24 K 0.23 D 0.14 R 0.14 F 0.11 Y 0.08 N 0.01 HN Overlap>> 1.E64 1.E64 C Shift Assignments>> CA :: 56.121 CB :: 41.973 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 :: 7.810 HA :: 4.391 HB2 :: 1.730 HB3 :: 1.901 HD11 :: 0.989 HD12 :: 0.989 HD13 :: 0.989 HD21 :: 0.987 HD22 :: 0.987 HD23 :: 0.987 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 :: 118.534 Ave N Shift Values>> N :: 121.98(4.07) 1.V71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> CA :: 64.238 CB :: 32.141 CG1 :: 21.665 CG2 :: 21.649 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 :: 8.002 HA :: 3.977 HB :: 2.241 HG11 :: 0.997 HG12 :: 0.997 HG13 :: 0.997 HG21 :: 1.028 HG22 :: 1.028 HG23 :: 1.028 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 :: 118.007 Ave N Shift Values>> N :: 121.02(4.96) 1.D72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.25 D 0.23 Y 0.19 F 0.17 L 0.08 E 0.02 I 0.02 HN Overlap>> 1.L65 1.N52 1.M13 1.L65 1.N52 1.M13 C Shift Assignments>> CA :: 54.995 CB :: 39.159 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 :: 8.291 HA :: 4.578 HB2 :: 2.832 HB3 :: 2.828 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 :: 119.419 Ave N Shift Values>> N :: 120.73(4.2) 1.D73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.31 D 0.22 Y 0.18 F 0.15 L 0.06 E 0.02 I 0.01 C Shift Assignments>> C :: 176.577 CA :: 54.732 CB :: 38.950 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.082 HA :: 4.600 HB2 :: 2.804 HB3 :: 2.919 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 :: 117.263 Ave N Shift Values>> N :: 120.73(4.2) 1.L74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.23 R 0.21 L 0.2 F 0.13 Y 0.1 D 0.06 I 0.01 C Shift Assignments>> C :: 178.326 CA :: 57.389 CB :: 42.335 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 :: 7.970 HA :: 4.157 HB2 :: 1.601 HB3 :: 1.690 HD11 :: 0.885 HD12 :: 0.885 HD13 :: 0.885 HD21 :: 1.024 HD22 :: 1.024 HD23 :: 1.024 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 :: 120.349 Ave N Shift Values>> N :: 121.98(4.07) 1.V75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 176.943 CA :: 65.015 CB :: 31.979 CG1 :: 22.231 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 :: 8.133 HA :: 3.819 HB :: 2.217 HG11 :: 1.061 HG12 :: 1.061 HG13 :: 1.019 HG21 :: 1.037 HG22 :: 1.037 HG23 :: 1.037 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 :: 116.466 Ave N Shift Values>> N :: 121.02(4.96) 1.D76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.23 Y 0.21 F 0.21 N 0.13 L 0.12 K 0.03 I 0.02 E 0.01 HN Overlap>> 1.I20 1.K49 1.I20 1.K49 C Shift Assignments>> C :: 176.908 CA :: 55.699 CB :: 39.755 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 :: 7.978 HA :: 4.602 HB2 :: 2.833 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 :: 118.409 Ave N Shift Values>> N :: 120.73(4.2) 1.S77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.123 CA :: 60.216 CB :: 63.881 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.867 HA :: 4.431 HB2 :: 3.984 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 :: 114.530 Ave N Shift Values>> N :: 116.3(3.95) 1.L78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.43 R 0.35 K 0.17 G 0.01 I 0.01 C Shift Assignments>> C :: 175.831 CA :: 55.133 CB :: 42.485 CG :: 26.888 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 :: 7.685 HA :: 4.390 HB2 :: 1.666 HB3 :: 1.803 HG :: 1.827 HD11 :: 0.906 HD12 :: 0.906 HD13 :: 0.906 HD21 :: 0.925 HD22 :: 0.925 HD23 :: 0.925 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 :: 120.898 Ave N Shift Values>> N :: 121.98(4.07) 1.K79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.56 Q 0.17 R 0.13 M 0.06 V 0.02 I 0.01 E 0.01 C Shift Assignments>> CA :: 57.390 CB :: 33.653 CG :: 25.334 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 :: 7.511 HA :: 4.189 HB2 :: 1.812 HB3 :: 1.881 HG2 :: 1.496 HG3 :: 1.492 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 :: 122.412 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) ########################################################################### Overall Results: #Consistent: 79 #Clerical: 0 #Suspicious: 0 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 67 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 12 Shift Relative Order (SRO) Results: #Consistent: 79 #Suspicious: 0 C Shift Results: #Consistent: 200 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 432 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 N Shift Results: #Consistent: 67 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0