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.A2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> A 0.87 M 0.1 C 0.01 C Shift Assignments>> C :: 177.829 CA :: 52.397 CB :: 19.096 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> HA :: 4.357 HB1 :: 1.383 HB2 :: 1.383 HB3 :: 1.383 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) 1.M3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.49 C 0.33 Q 0.13 K 0.02 C Shift Assignments>> C :: 176.766 CA :: 55.350 CB :: 32.487 CG :: 31.902 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.569 HA :: 4.769 HB2 :: 2.109 HB3 :: 2.018 HG2 :: 2.615 HG3 :: 2.543 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 119.822 Ave N Shift Values>> N :: 120.09(3.57) 1.G4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.82 L 0.1 C 0.03 R 0.01 F 0.01 C Shift Assignments>> C :: 174.544 CA :: 45.224 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.446 HA2 :: 3.966 HA3 :: 3.966 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.205 Ave N Shift Values>> N :: 109.67(3.87) 1.G5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.76 L 0.13 C 0.03 R 0.02 F 0.01 HN Overlap>> 1.G74 1.G74 C Shift Assignments>> C :: 174.020 CA :: 45.049 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.304 HA2 :: 3.969 HA3 :: 3.969 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.612 Ave N Shift Values>> N :: 109.67(3.87) 1.K6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.48 C 0.39 R 0.11 C Shift Assignments>> C :: 176.826 CA :: 56.241 CB :: 33.150 CG :: 24.731 CD :: 28.828 CE :: 41.924 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.228 HA :: 4.367 HB2 :: 1.821 HB3 :: 1.726 HG2 :: 1.419 HG3 :: 1.375 HD2 :: 1.645 HD3 :: 1.645 HE2 :: 2.976 HE3 :: 2.976 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.644 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.T7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.89 C 0.1 HN Overlap>> 1.S156 1.S156 C Shift Assignments>> C :: 174.450 CA :: 61.729 CB :: 70.036 CG2 :: 21.580 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.262 HA :: 4.347 HB :: 4.123 HG21 :: 1.142 HG22 :: 1.142 HG23 :: 1.142 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 114.848 Ave N Shift Values>> N :: 115.42(4.75) 1.S8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.139 CA :: 58.234 CB :: 63.850 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.271 HA :: 4.436 HB2 :: 3.795 HB3 :: 3.795 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 117.621 Ave N Shift Values>> N :: 116.28(3.52) 1.W9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.14 Q 0.14 W 0.13 E 0.13 H 0.12 C 0.12 R 0.1 M 0.03 I 0.02 C Shift Assignments>> C :: 176.384 CA :: 57.246 CB :: 29.258 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 8.130 HA :: 4.746 HB2 :: 3.314 HB3 :: 3.227 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 122.751 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.E10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.31 K 0.1 Q 0.09 M 0.06 I 0.03 C Shift Assignments>> C :: 176.456 CA :: 56.951 CB :: 29.811 CG :: 35.963 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.363 HA :: 4.181 HB2 :: 1.845 HB3 :: 1.716 HG2 :: 2.124 HG3 :: 2.124 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 123.155 Ave N Shift Values>> N :: 120.67(3.48) 1.K11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.47 C 0.39 R 0.12 C Shift Assignments>> C :: 176.599 CA :: 56.325 CB :: 32.339 CG :: 24.722 CD :: 29.090 CE :: 41.922 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.847 HA :: 4.315 HB2 :: 1.892 HB3 :: 1.822 HG2 :: 1.418 HG3 :: 1.372 HD2 :: 1.647 HD3 :: 1.647 HE2 :: 2.975 HE3 :: 2.975 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.009 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.08 C 0.03 C Shift Assignments>> C :: 173.178 CA :: 45.643 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.451 HA2 :: 3.970 HA3 :: 3.970 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.093 Ave N Shift Values>> N :: 109.67(3.87) 1.S13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.97 T 0.02 C Shift Assignments>> C :: 173.141 CA :: 56.942 CB :: 65.802 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.976 HA :: 5.565 HB2 :: 3.842 HB3 :: 3.816 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 114.493 Ave N Shift Values>> N :: 116.28(3.52) 1.L14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.49 L 0.3 C 0.18 A 0.01 C Shift Assignments>> C :: 174.880 CA :: 53.901 CB :: 45.662 CG :: 27.533 CD1 :: 24.409 CD2 :: 24.172 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.825 HA :: 5.226 HB2 :: 1.274 HB3 :: 1.158 HG :: 1.299 HD11 :: 0.556 HD12 :: 0.556 HD13 :: 0.556 HD21 :: 0.431 HD22 :: 0.431 HD23 :: 0.431 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 123.847 Ave N Shift Values>> N :: 121.86(3.9) 1.V15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.52 C 0.47 HN Overlap>> 1.E157 1.E157 C Shift Assignments>> C :: 175.846 CA :: 60.587 CB :: 33.343 CG1 :: 21.738 CG2 :: 19.978 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.427 HA :: 4.694 HB :: 1.600 HG11 :: 0.750 HG12 :: 0.750 HG13 :: 0.750 HG21 :: 0.865 HG22 :: 0.865 HG23 :: 0.865 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 122.758 Ave N Shift Values>> N :: 121.14(4.54) 1.S16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 56.464 CB :: 63.003 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.806 HA :: 4.423 HB2 :: 3.358 HB3 :: 3.358 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 123.450 Ave N Shift Values>> N :: 116.28(3.52) 1.P17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.86 C 0.13 C Shift Assignments>> C :: 177.626 CA :: 65.434 CB :: 31.293 CG :: 27.848 CD :: 50.152 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.321 HB2 :: 2.397 HB3 :: 2.397 HG2 :: 2.151 HG3 :: 2.060 HD2 :: 3.729 HD3 :: 3.729 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.G18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.73 L 0.15 R 0.03 C 0.03 F 0.01 D 0.01 C Shift Assignments>> C :: 174.844 CA :: 44.963 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.127 HA2 :: 4.076 HA3 :: 3.793 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.343 Ave N Shift Values>> N :: 109.67(3.87) 1.G19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.76 L 0.13 C 0.03 R 0.03 F 0.01 C Shift Assignments>> C :: 173.829 CA :: 45.033 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.139 HA2 :: 4.355 HA3 :: 3.504 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.946 Ave N Shift Values>> N :: 109.67(3.87) 1.L20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.67 C 0.27 R 0.03 G 0.01 C Shift Assignments>> C :: 175.154 CA :: 55.294 CB :: 42.434 CG :: 26.485 CD1 :: 25.007 CD2 :: 24.752 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.346 HA :: 4.316 HB2 :: 1.416 HB3 :: 1.416 HG :: 0.837 HD11 :: 0.623 HD12 :: 0.623 HD13 :: 0.623 HD21 :: 0.759 HD22 :: 0.759 HD23 :: 0.759 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.242 Ave N Shift Values>> N :: 121.86(3.9) 1.Q21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.28 Q 0.26 C 0.24 E 0.11 K 0.08 C Shift Assignments>> C :: 174.575 CA :: 55.286 CB :: 30.903 CG :: 34.244 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.097 HA :: 4.860 HB2 :: 2.180 HB3 :: 2.180 HG2 :: 2.437 HG3 :: 2.255 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 125.838 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.M22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.81 M 0.13 E 0.05 C Shift Assignments>> C :: 174.951 CA :: 53.776 CB :: 37.968 CG :: 33.379 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 9.277 HA :: 5.678 HB2 :: 2.122 HB3 :: 2.122 HG2 :: 2.485 HG3 :: 2.071 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 123.127 Ave N Shift Values>> N :: 120.09(3.57) 1.L23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.52 L 0.27 C 0.18 A 0.01 C Shift Assignments>> C :: 174.569 CA :: 53.790 CB :: 45.624 CG :: 27.848 CD1 :: 24.401 CD2 :: 24.163 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.571 HA :: 5.224 HB2 :: 1.271 HB3 :: 1.039 HG :: 1.297 HD11 :: 0.556 HD12 :: 0.556 HD13 :: 0.556 HD21 :: 0.431 HD22 :: 0.431 HD23 :: 0.431 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.073 Ave N Shift Values>> N :: 121.86(3.9) 1.L24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.64 C 0.28 R 0.05 C Shift Assignments>> C :: 175.560 CA :: 54.960 CB :: 41.917 CG :: 27.532 CD1 :: 25.283 CD2 :: 25.026 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.501 HA :: 4.579 HB2 :: 1.200 HB3 :: 0.886 HG :: 1.039 HD11 :: 0.403 HD12 :: 0.403 HD13 :: 0.403 HD21 :: 0.494 HD22 :: 0.494 HD23 :: 0.494 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 124.474 Ave N Shift Values>> N :: 121.86(3.9) 1.V25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.61 C 0.38 C Shift Assignments>> C :: 174.032 CA :: 61.757 CB :: 33.935 CG1 :: 21.324 CG2 :: 20.291 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.081 HA :: 4.181 HB :: 2.101 HG11 :: 0.855 HG12 :: 0.855 HG13 :: 0.855 HG21 :: 0.704 HG22 :: 0.704 HG23 :: 0.704 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 128.299 Ave N Shift Values>> N :: 121.14(4.54) 1.K26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.5 C 0.42 R 0.06 C Shift Assignments>> C :: 175.047 CA :: 54.291 CB :: 30.301 CG :: 24.603 CD :: 29.609 CE :: 41.507 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.603 HA :: 5.149 HB2 :: 1.708 HB3 :: 1.435 HG2 :: 1.089 HG3 :: 1.089 HD2 :: 1.714 HD3 :: 1.675 HE2 :: 2.785 HE3 :: 2.785 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 129.145 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 M 0.34 E 0.15 Q 0.02 C Shift Assignments>> C :: 173.447 CA :: 54.629 CB :: 33.156 CG :: 35.978 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.948 HA :: 4.164 HB2 :: 1.766 HB3 :: 1.766 HG2 :: 2.438 HG3 :: 2.199 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 123.533 Ave N Shift Values>> N :: 120.67(3.48) 1.G28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.52 L 0.23 R 0.11 C 0.04 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> C :: 176.555 CA :: 44.528 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.666 HA2 :: 4.430 HA3 :: 3.717 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 104.605 Ave N Shift Values>> N :: 109.67(3.87) 1.V29 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> V 0.81 C 0.18 C Shift Assignments>> C :: 174.999 CA :: 64.215 CB :: 31.951 CG1 :: 22.218 CG2 :: 20.342 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 10.623(S) HA :: 3.842 HB :: 1.949 HG11 :: 1.000 HG12 :: 1.000 HG13 :: 1.000 HG21 :: 0.862 HG22 :: 0.862 HG23 :: 0.862 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 125.526 Ave N Shift Values>> N :: 121.14(4.54) 1.Q30 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.37 R 0.31 K 0.23 Q 0.06 M 0.01 C Shift Assignments>> C :: 175.286 CA :: 57.265 CB :: 26.362 CG :: 31.944 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 10.167(S) HA :: 4.236 HB2 :: 1.972 HB3 :: 1.972 HG2 :: 2.651 HG3 :: 2.651 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 120.385 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.N31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.6 D 0.17 C 0.07 F 0.04 Y 0.04 L 0.04 C Shift Assignments>> C :: 175.011 CA :: 52.003 CB :: 38.979 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.141 HA :: 4.965 HB2 :: 2.996 HB3 :: 2.612 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 119.016 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.A32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.83 M 0.11 C 0.02 L 0.01 C Shift Assignments>> C :: 177.244 CA :: 53.372 CB :: 19.557 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.592 HA :: 4.028 HB1 :: 1.334 HB2 :: 1.334 HB3 :: 1.334 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.639 Ave N Shift Values>> N :: 123.23(3.54) 1.K33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.53 C 0.29 R 0.15 G 0.01 C Shift Assignments>> C :: 176.826 CA :: 54.289 CB :: 32.016 CG :: 24.728 CD :: 29.092 CE :: 42.205 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.812 HA :: 4.535 HB2 :: 1.975 HB3 :: 1.547 HG2 :: 1.436 HG3 :: 1.351 HD2 :: 1.646 HD3 :: 1.646 HE2 :: 2.976 HE3 :: 2.976 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.285 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.T34 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> T 0.84 C 0.15 C Shift Assignments>> C :: 173.184 CA :: 60.023 CB :: 70.057 CG2 :: 21.294 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 6.606 HA :: 4.066 HB :: 3.771 HG21 :: 0.329(S) HG22 :: 0.329(S) HG23 :: 0.329(S) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 108.628 Ave N Shift Values>> N :: 115.42(4.75) 1.D35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.22 K 0.21 Y 0.17 L 0.13 C 0.09 D 0.07 I 0.04 R 0.03 HN Overlap>> 1.I113 1.I113 C Shift Assignments>> C :: 177.770 CA :: 57.955 CB :: 41.436 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.166 HA :: 3.846 HB2 :: 2.052 HB3 :: 2.052 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 117.544 Ave N Shift Values>> N :: 120.65(3.86) 1.V36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.73 V 0.26 C Shift Assignments>> C :: 175.978 CA :: 60.190 CB :: 35.339 CG1 :: 23.501 CG2 :: 21.898 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.663 HA :: 5.159 HB :: 1.686 HG11 :: 0.976 HG12 :: 0.976 HG13 :: 0.976 HG21 :: 0.664 HG22 :: 0.664 HG23 :: 0.664 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 117.356 Ave N Shift Values>> N :: 121.14(4.54) 1.V37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.69 V 0.3 C Shift Assignments>> C :: 172.109 CA :: 60.529 CB :: 35.643 CG1 :: 23.157 CG2 :: 21.896 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.176 HA :: 4.673 HB :: 1.851 HG11 :: 0.800 HG12 :: 0.800 HG13 :: 0.800 HG21 :: 0.750 HG22 :: 0.750 HG23 :: 0.750 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 128.682 Ave N Shift Values>> N :: 121.14(4.54) 1.V38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.62 C 0.37 C Shift Assignments>> C :: 171.323 CA :: 61.813 CB :: 33.758 CG1 :: 21.305 CG2 :: 20.342 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.362 HA :: 4.184 HB :: 1.907 HG11 :: 0.851 HG12 :: 0.851 HG13 :: 0.851 HG21 :: 0.704 HG22 :: 0.704 HG23 :: 0.704 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 126.732 Ave N Shift Values>> N :: 121.14(4.54) 1.N39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 L 0.06 D 0.05 R 0.03 C 0.02 HN Overlap>> 1.A60 1.A60 C Shift Assignments>> C :: 174.402 CA :: 49.555 CB :: 43.521 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.968 HA :: 4.862 HB2 :: 2.325 HB3 :: 1.835 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 120.471 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.S40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.721 CA :: 55.326 CB :: 65.258 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.056 HA :: 5.356 HB2 :: 3.813 HB3 :: 3.813 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 118.691 Ave N Shift Values>> N :: 116.28(3.52) 1.V41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.7 V 0.22 A 0.07 C Shift Assignments>> CA :: 57.406 CB :: 32.825 CG1 :: 22.227 CG2 :: 19.418 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.969 HA :: 4.732 HB :: 1.876 HG11 :: 0.804 HG12 :: 0.804 HG13 :: 0.804 HG21 :: 0.966 HG22 :: 0.966 HG23 :: 0.966 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 118.108 Ave N Shift Values>> N :: 121.14(4.54) 1.P42 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> C 0.54 P 0.45 C Shift Assignments>> C :: 177.674 CA :: 61.915 CB :: 33.286 CG :: 27.854 CD :: 51.275 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 5.868(S) HB2 :: 1.913 HB3 :: 1.913 HG2 :: 2.194 HG3 :: 2.194 HD2 :: 3.738 HD3 :: 3.738 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.L43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.5 C 0.36 R 0.07 G 0.04 HN Overlap>> 1.D116 1.E115 1.D116 1.E115 C Shift Assignments>> C :: 176.265 CA :: 57.783 CB :: 43.016 CG :: 26.904 CD1 :: 25.321 CD2 :: 25.037 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.407 HA :: 3.776 HB2 :: 1.598 HB3 :: 1.520 HG :: 1.660 HD11 :: 0.898 HD12 :: 0.898 HD13 :: 0.898 HD21 :: 0.859 HD22 :: 0.859 HD23 :: 0.859 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 118.611 Ave N Shift Values>> N :: 121.86(3.9) 1.D44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.54 D 0.2 C 0.08 F 0.05 Y 0.05 L 0.05 C Shift Assignments>> C :: 176.719 CA :: 52.620 CB :: 39.083 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.597 HA :: 4.359 HB2 :: 3.041 HB3 :: 2.509 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 110.735 Ave N Shift Values>> N :: 120.65(3.86) 1.L45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.77 A 0.14 L 0.05 V 0.01 C Shift Assignments>> C :: 173.924 CA :: 55.900 CB :: 37.388 CG :: 25.944 CD1 :: 22.205 CD2 :: 21.927 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.168 HA :: 3.460 HB2 :: 2.075 HB3 :: 1.401 HG :: 1.422 HD11 :: 0.678 HD12 :: 0.678 HD13 :: 0.678 HD21 :: 0.670 HD22 :: 0.670 HD23 :: 0.670 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 111.578 Ave N Shift Values>> N :: 121.86(3.9) 1.V46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.82 C 0.17 C Shift Assignments>> CA :: 64.459 CB :: 31.477 CG1 :: 22.211 CG2 :: 21.904 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.027 HA :: 3.716 HB :: 2.265 HG11 :: 0.893 HG12 :: 0.893 HG13 :: 0.893 HG21 :: 0.796 HG22 :: 0.796 HG23 :: 0.796 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 119.692 Ave N Shift Values>> N :: 121.14(4.54) 1.L47 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S48 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.R49 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> L 0.56 C 0.36 K 0.05 C Shift Assignments>> C :: 177.817 CA :: 57.394 CB :: 26.261 CG :: 23.469 CD :: 41.583 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> HA :: 4.197 HB2 :: 1.502 HB3 :: 1.502 HG2 :: 0.832 HG3 :: 0.832 HD2 :: 2.039(S) HD3 :: 2.039(S) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) 1.G50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.64 L 0.19 R 0.07 C 0.04 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> CA :: 44.743 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.722 HA2 :: 3.330 HA3 :: 3.330 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 114.189 Ave N Shift Values>> N :: 109.67(3.87) 1.P51 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.L52 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S53 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.K54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.48 K 0.44 R 0.07 C Shift Assignments>> C :: 179.250 CA :: 59.934 CB :: 32.669 CG :: 25.364 CD :: 29.461 CE :: 41.815 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> HA :: 3.979 HB2 :: 1.790 HB3 :: 1.790 HG2 :: 1.484 HG3 :: 1.484 HD2 :: 1.518 HD3 :: 1.518 HE2 :: 2.921 HE3 :: 2.921 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) 1.S55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.969 CA :: 62.189 CB :: 63.051 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.835 HA :: 4.276 HB2 :: 3.838 HB3 :: 3.838 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.307 Ave N Shift Values>> N :: 116.28(3.52) 1.L56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.53 C 0.41 R 0.03 C Shift Assignments>> C :: 178.522 CA :: 58.308 CB :: 41.980 CG :: 26.871 CD1 :: 25.336 CD2 :: 25.046 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.407 HA :: 3.992 HB2 :: 1.848 HB3 :: 1.848 HG :: 1.019 HD11 :: 0.698 HD12 :: 0.698 HD13 :: 0.698 HD21 :: 0.630 HD22 :: 0.630 HD23 :: 0.630 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.593 Ave N Shift Values>> N :: 121.86(3.9) 1.L57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.55 C 0.42 R 0.01 C Shift Assignments>> C :: 179.143 CA :: 58.267 CB :: 41.476 CG :: 26.566 CD1 :: 25.334 CD2 :: 25.042 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.886 HA :: 3.917 HB2 :: 1.825 HB3 :: 1.401 HG :: 1.393 HD11 :: 0.862 HD12 :: 0.862 HD13 :: 0.862 HD21 :: 0.697 HD22 :: 0.697 HD23 :: 0.697 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.776 Ave N Shift Values>> N :: 121.86(3.9) 1.E58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 E 0.33 I 0.19 K 0.05 Q 0.02 M 0.01 C Shift Assignments>> C :: 177.674 CA :: 59.181 CB :: 29.219 CG :: 36.585 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.547 HA :: 3.900 HB2 :: 2.017 HB3 :: 2.136 HG2 :: 2.450 HG3 :: 2.450 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 117.967 Ave N Shift Values>> N :: 120.67(3.48) 1.K59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.44 C 0.4 R 0.13 C Shift Assignments>> C :: 176.969 CA :: 56.868 CB :: 32.617 CG :: 24.716 CD :: 28.751 CE :: 41.902 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 6.962 HA :: 4.365 HB2 :: 1.888 HB3 :: 1.888 HG2 :: 1.362 HG3 :: 1.362 HD2 :: 1.715 HD3 :: 1.715 HE2 :: 2.991 HE3 :: 2.991 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 116.468 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.57 C 0.17 A 0.11 V 0.04 K 0.04 T 0.03 HN Overlap>> 1.N39 1.N39 C Shift Assignments>> C :: 178.558 CA :: 55.517 CB :: 22.173 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.983 HA :: 4.012 HB1 :: 1.686 HB2 :: 1.686 HB3 :: 1.686 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.398 Ave N Shift Values>> N :: 123.23(3.54) 1.G61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.41 L 0.28 D 0.06 G 0.06 F 0.05 K 0.03 C 0.03 Y 0.03 C Shift Assignments>> CA :: 43.315 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.814 HA2 :: 4.623 HA3 :: 4.623 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 102.498 Ave N Shift Values>> N :: 109.67(3.87) 1.P62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.81 C 0.18 C Shift Assignments>> C :: 178.677 CA :: 64.476 CB :: 31.165 CG :: 26.900 CD :: 49.388 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.065 HB2 :: 2.086 HB3 :: 1.765 HG2 :: 1.826 HG3 :: 1.826 HD2 :: 3.737 HD3 :: 3.523 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.E63 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> C 0.47 I 0.43 E 0.05 K 0.01 C Shift Assignments>> C :: 177.579 CA :: 59.640 CB :: 26.328 CG :: 37.191 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.472 HA :: 3.371 HB2 :: 0.255(A) HB3 :: -0.144(S) HG2 :: 1.783 HG3 :: 1.723 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.618 Ave N Shift Values>> N :: 120.67(3.48) 1.L64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.58 C 0.38 R 0.01 HN Overlap>> 1.T125 1.T125 C Shift Assignments>> C :: 177.674 CA :: 57.857 CB :: 41.767 CG :: 26.582 CD1 :: 25.032 CD2 :: 23.482 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.358 HA :: 3.907 HB2 :: 1.781 HB3 :: 1.402 HG :: 1.649 HD11 :: 1.248 HD12 :: 1.248 HD13 :: 1.248 HD21 :: 0.803 HD22 :: 0.803 HD23 :: 0.803 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 117.637 Ave N Shift Values>> N :: 121.86(3.9) 1.Q65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.32 K 0.1 Q 0.09 M 0.05 I 0.04 C Shift Assignments>> C :: 177.226 CA :: 57.405 CB :: 29.800 CG :: 35.934 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 6.628 HA :: 3.869 HB2 :: 1.967 HB3 :: 1.967 HG2 :: 1.867 HG3 :: 1.867 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 114.714 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.E66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 E 0.33 I 0.15 K 0.09 Q 0.05 C Shift Assignments>> C :: 179.059 CA :: 58.846 CB :: 28.918 CG :: 36.160 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.008 HA :: 4.117 HB2 :: 1.956 HB3 :: 1.956 HG2 :: 2.228 HG3 :: 2.228 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.301 Ave N Shift Values>> N :: 120.67(3.48) 1.E67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 E 0.31 I 0.22 K 0.04 Q 0.01 HN Overlap>> 1.F150 1.F150 C Shift Assignments>> C :: 178.522 CA :: 59.584 CB :: 29.313 CG :: 36.595 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.551 HA :: 3.902 HB2 :: 2.220 HB3 :: 2.220 HG2 :: 2.449 HG3 :: 2.449 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.594 Ave N Shift Values>> N :: 120.67(3.48) 1.L68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 L 0.45 R 0.06 C Shift Assignments>> C :: 177.538 CA :: 57.913 CB :: 41.417 CG :: 27.722 CD1 :: 25.968 CD2 :: 23.128 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.000 HA :: 3.841 HB2 :: 0.946 HB3 :: 0.946 HG :: 0.437 HD11 :: 0.629 HD12 :: 0.629 HD13 :: 0.629 HD21 :: 0.455 HD22 :: 0.455 HD23 :: 0.455 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.214 Ave N Shift Values>> N :: 121.86(3.9) 1.D69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.27 Y 0.27 C 0.13 D 0.1 L 0.08 I 0.06 N 0.03 C Shift Assignments>> C :: 179.418 CA :: 57.216 CB :: 39.700 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.258 HA :: 4.271 HB2 :: 2.826 HB3 :: 2.608 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 117.275 Ave N Shift Values>> N :: 120.65(3.86) 1.T70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.97 C 0.02 C Shift Assignments>> C :: 177.387 CA :: 67.000 CB :: 68.716 CG2 :: 21.280 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.913 HA :: 3.982 HB :: 4.509 HG21 :: 1.293 HG22 :: 1.293 HG23 :: 1.293 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 116.787 Ave N Shift Values>> N :: 115.42(4.75) 1.V71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.89 C 0.1 C Shift Assignments>> C :: 178.797 CA :: 65.769 CB :: 31.668 CG1 :: 22.531 CG2 :: 21.287 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.830 HA :: 3.916 HB :: 2.251 HG11 :: 1.288 HG12 :: 1.288 HG13 :: 1.288 HG21 :: 1.158 HG22 :: 1.158 HG23 :: 1.158 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 122.958 Ave N Shift Values>> N :: 121.14(4.54) 1.G72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.08 C 0.03 C Shift Assignments>> C :: 174.175 CA :: 45.635 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.592 HA2 :: 3.767 HA3 :: 3.462 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.303 Ave N Shift Values>> N :: 109.67(3.87) 1.Q73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 Q 0.27 K 0.25 R 0.09 E 0.05 M 0.02 I 0.01 C Shift Assignments>> C :: 177.507 CA :: 57.578 CB :: 28.187 CG :: 33.742 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.344 HA :: 4.136 HB2 :: 2.209 HB3 :: 2.209 HG2 :: 2.651 HG3 :: 2.651 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 118.655 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.G74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.78 L 0.12 C 0.03 R 0.02 F 0.01 HN Overlap>> 1.G5 1.G5 C Shift Assignments>> C :: 173.590 CA :: 45.098 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.373 HA2 :: 3.954 HA3 :: 3.954 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.541 Ave N Shift Values>> N :: 109.67(3.87) 1.V75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.52 C 0.47 C Shift Assignments>> C :: 174.402 CA :: 60.531 CB :: 34.164 CG1 :: 20.971 CG2 :: 20.664 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.554 HA :: 4.245 HB :: 2.070 HG11 :: 0.855 HG12 :: 0.855 HG13 :: 0.855 HG21 :: 0.878 HG22 :: 0.878 HG23 :: 0.878 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 118.687 Ave N Shift Values>> N :: 121.14(4.54) 1.A76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.79 M 0.19 C Shift Assignments>> C :: 176.408 CA :: 50.669 CB :: 16.606 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.388 HA :: 4.527 HB1 :: 1.292 HB2 :: 1.292 HB3 :: 1.292 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 128.070 Ave N Shift Values>> N :: 123.23(3.54) 1.V77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.78 C 0.21 C Shift Assignments>> C :: 175.214 CA :: 64.097 CB :: 31.559 CG1 :: 22.516 CG2 :: 22.229 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.333 HA :: 3.818 HB :: 2.051 HG11 :: 1.042 HG12 :: 1.042 HG13 :: 1.042 HG21 :: 1.052 HG22 :: 1.052 HG23 :: 1.052 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 127.061 Ave N Shift Values>> N :: 121.14(4.54) 1.S78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 T 0.01 C Shift Assignments>> C :: 173.375 CA :: 56.241 CB :: 65.808 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.860 HA :: 4.628 HB2 :: 3.763 HB3 :: 3.763 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 121.730 Ave N Shift Values>> N :: 116.28(3.52) 1.M79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 M 0.41 Q 0.1 K 0.02 HN Overlap>> 1.I154 1.I154 C Shift Assignments>> C :: 177.841 CA :: 57.537 CB :: 31.908 CG :: 32.207 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.451 HA :: 4.266 HB2 :: 2.661 HB3 :: 2.661 HG2 :: 2.125 HG3 :: 2.125 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 119.447 Ave N Shift Values>> N :: 120.09(3.57) 1.G80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.59 L 0.21 R 0.08 C 0.04 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> C :: 173.447 CA :: 44.652 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.779 HA2 :: 4.457 HA3 :: 3.331 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 114.385 Ave N Shift Values>> N :: 109.67(3.87) 1.T81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.95 C 0.04 C Shift Assignments>> C :: 171.787 CA :: 65.879 CB :: 69.416 CG2 :: 22.519 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.202 HA :: 3.998 HB :: 4.136 HG21 :: 1.267 HG22 :: 1.267 HG23 :: 1.267 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 119.667 Ave N Shift Values>> N :: 115.42(4.75) 1.V82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.6 C 0.39 C Shift Assignments>> C :: 175.572 CA :: 61.528 CB :: 33.832 CG1 :: 22.217 CG2 :: 20.602 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.066 HA :: 4.688 HB :: 1.913 HG11 :: 1.082 HG12 :: 1.082 HG13 :: 1.082 HG21 :: 0.707 HG22 :: 0.707 HG23 :: 0.707 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 125.441 Ave N Shift Values>> N :: 121.14(4.54) 1.L83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.45 G 0.39 C 0.13 A 0.01 C Shift Assignments>> C :: 174.772 CA :: 53.411 CB :: 44.705 CG :: 26.899 CD1 :: 24.403 CD2 :: 24.105 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.451 HA :: 4.811 HB2 :: 1.621 HB3 :: 1.294 HG :: 0.767 HD11 :: 0.855 HD12 :: 0.855 HD13 :: 0.855 HD21 :: 0.848 HD22 :: 0.848 HD23 :: 0.848 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 127.643 Ave N Shift Values>> N :: 121.86(3.9) 1.K84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 K 0.4 A 0.01 C Shift Assignments>> C :: 176.086 CA :: 54.960 CB :: 34.847 CG :: 24.036 CD :: 28.466 CE :: 40.665 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.644 HA :: 5.462 HB2 :: 1.772 HB3 :: 1.404 HG2 :: 1.238 HG3 :: 1.164 HD2 :: 1.141 HD3 :: 0.992 HE2 :: 2.619 HE3 :: 2.455 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 124.475 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.T85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.61 T 0.37 C Shift Assignments>> C :: 174.605 CA :: 60.197 CB :: 73.488 CG2 :: 20.303 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 9.481 HA :: 4.958 HB :: 4.873 HG21 :: 1.152 HG22 :: 1.152 HG23 :: 1.152 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 114.319 Ave N Shift Values>> N :: 115.42(4.75) 1.S86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.178 CA :: 59.528 CB :: 62.592 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.639 HA :: 4.650 HB2 :: 3.899 HB3 :: 3.899 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 116.727 Ave N Shift Values>> N :: 116.28(3.52) 1.S87 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> S 0.81 T 0.18 C Shift Assignments>> C :: 174.020 CA :: 57.913 CB :: 66.540 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.292 HA :: 4.253 HB2 :: 3.762 HB3 :: 2.930(S) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 110.354 Ave N Shift Values>> N :: 116.28(3.52) 1.W88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.22 R 0.19 I 0.16 K 0.11 L 0.1 W 0.06 Q 0.06 H 0.03 E 0.02 C Shift Assignments>> C :: 176.265 CA :: 58.867 CB :: 26.337 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 7.586 HA :: 3.754 HB2 :: 3.482 HB3 :: 3.119 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 120.713 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.N89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.38 C 0.16 Y 0.12 F 0.1 D 0.08 E 0.05 M 0.03 L 0.02 I 0.01 HN Overlap>> 1.R93 1.R93 C Shift Assignments>> C :: 175.883 CA :: 54.402 CB :: 37.907 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.725 HA :: 5.019 HB2 :: 3.275 HB3 :: 3.207 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 118.873 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.57 C 0.29 A 0.06 G 0.06 C Shift Assignments>> C :: 175.966 CA :: 55.243 CB :: 43.042 CG :: 26.565 CD1 :: 22.831 CD2 :: 22.514 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.032 HA :: 4.310 HB2 :: 1.738 HB3 :: 1.903 HG :: 0.841 HD11 :: 1.035 HD12 :: 1.035 HD13 :: 1.035 HD21 :: 1.033 HD22 :: 1.033 HD23 :: 1.033 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 118.845 Ave N Shift Values>> N :: 121.86(3.9) 1.D91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.29 L 0.22 K 0.12 F 0.11 Y 0.08 N 0.08 C 0.05 R 0.01 C Shift Assignments>> C :: 175.763 CA :: 54.779 CB :: 41.170 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.622 HA :: 4.763 HB2 :: 2.832 HB3 :: 2.531 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 118.210 Ave N Shift Values>> N :: 120.65(3.86) 1.C92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.16 Q 0.15 R 0.13 W 0.12 E 0.11 C 0.11 K 0.11 M 0.06 C Shift Assignments>> C :: 173.160 CA :: 55.294 CB :: 29.749 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.019 HA :: 5.102 HB2 :: 2.805 HB3 :: 2.592 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 114.528 Ave N Shift Values>> N :: 120.17(4.64) 1.R93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 R 0.4 K 0.15 G 0.02 HN Overlap>> 1.N89 1.N89 C Shift Assignments>> C :: 175.978 CA :: 57.690 CB :: 31.435 CG :: 26.634 CD :: 42.845 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.645 HA :: 4.244 HB2 :: 1.915 HB3 :: 1.539 HG2 :: 1.532 HG3 :: 1.395 HD2 :: 3.061 HD3 :: 3.061 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 118.828 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.Y94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.32 L 0.3 G 0.11 F 0.06 C 0.06 D 0.06 Y 0.03 K 0.02 C Shift Assignments>> C :: 173.590 CA :: 56.297 CB :: 43.852 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 7.795 HA :: 5.080 HB2 :: 3.000 HB3 :: 2.244 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 112.155 Ave N Shift Values>> N :: 120.52(4.2) 1.V95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 V 0.47 HN Overlap>> 1.T108 1.T108 C Shift Assignments>> C :: 174.462 CA :: 59.863 CB :: 33.229 CG1 :: 21.871 CG2 :: 20.017 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.616 HA :: 4.745 HB :: 1.598 HG11 :: 0.507 HG12 :: 0.507 HG13 :: 0.507 HG21 :: -0.070 HG22 :: -0.070 HG23 :: -0.070 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 120.440 Ave N Shift Values>> N :: 121.14(4.54) 1.L96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.42 L 0.36 C 0.2 C Shift Assignments>> C :: 173.737 CA :: 52.007 CB :: 41.616 CG :: 27.194 CD1 :: 22.196 CD2 :: 21.930 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.529 HA :: 5.042 HB2 :: 1.662 HB3 :: 1.050 HG :: 0.713 HD11 :: 0.676 HD12 :: 0.676 HD13 :: 0.676 HD21 :: 0.672 HD22 :: 0.672 HD23 :: 0.672 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 124.258 Ave N Shift Values>> N :: 121.86(3.9) 1.H97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.2 R 0.14 H 0.14 C 0.14 K 0.12 W 0.09 E 0.07 Q 0.06 C Shift Assignments>> CA :: 54.673 CB :: 31.724 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 9.660 HA :: 4.685 HB2 :: 2.959 HB3 :: 2.860 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 125.347 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.V98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.73 V 0.17 A 0.08 C Shift Assignments>> CA :: 57.244 CB :: 32.822 CG1 :: 22.221 CG2 :: 19.103 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.931 HA :: 5.515 HB :: 1.895 HG11 :: 0.802 HG12 :: 0.802 HG13 :: 0.802 HG21 :: 0.970 HG22 :: 0.970 HG23 :: 0.970 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 117.945 Ave N Shift Values>> N :: 121.14(4.54) 1.V99 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.A100 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P101 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.E102 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.W103 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.R104 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.N105 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.73 L 0.15 R 0.03 C 0.03 F 0.01 D 0.01 C Shift Assignments>> C :: 174.008 CA :: 44.954 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> HA2 :: 3.248 HA3 :: 3.248 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) 1.S107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.835 CA :: 57.902 CB :: 63.817 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 6.890 HA :: 4.122 HB2 :: 3.917 HB3 :: 3.706 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 114.221 Ave N Shift Values>> N :: 116.28(3.52) 1.T108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.96 C 0.03 HN Overlap>> 1.V95 1.V95 C Shift Assignments>> C :: 176.946 CA :: 65.434 CB :: 68.633 CG2 :: 21.904 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.652 HA :: 3.959 HB :: 4.241 HG21 :: 1.299 HG22 :: 1.299 HG23 :: 1.299 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 120.418 Ave N Shift Values>> N :: 115.42(4.75) 1.S109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 60.969 CB :: 62.468 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.175 HA :: 4.769 HB2 :: 3.882 HB3 :: 3.882 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 116.277 Ave N Shift Values>> N :: 116.28(3.52) 1.S110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 175.501 CA :: 62.526 CB :: 63.771 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> HA :: 3.813 HB2 :: 3.971 HB3 :: 3.971 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) 1.L111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 L 0.47 R 0.03 C Shift Assignments>> C :: 177.961 CA :: 59.048 CB :: 41.606 CG :: 27.226 CD1 :: 25.608 CD2 :: 24.399 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.645 HA :: 4.122 HB2 :: 1.873 HB3 :: 1.720 HG :: 1.757 HD11 :: 0.965 HD12 :: 0.965 HD13 :: 0.965 HD21 :: 1.087 HD22 :: 1.087 HD23 :: 1.087 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 121.357 Ave N Shift Values>> N :: 121.86(3.9) 1.K112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 K 0.39 R 0.18 C Shift Assignments>> C :: 178.381 CA :: 58.898 CB :: 32.207 CG :: 24.707 CD :: 28.466 CE :: 42.201 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.737 HA :: 4.036 HB2 :: 1.976 HB3 :: 1.976 HG2 :: 1.518 HG3 :: 1.518 HD2 :: 1.744 HD3 :: 1.744 HE2 :: 2.986 HE3 :: 2.986 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 118.308 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.86 C 0.13 HN Overlap>> 1.D35 1.D35 C Shift Assignments>> C :: 178.104 CA :: 64.793 CB :: 38.484 CG1 :: 29.087 CG2 :: 17.212 CD1 :: 13.481 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.148 HA :: 3.945 HB :: 1.832 HG12 :: 1.932 HG13 :: 1.183 HG21 :: 0.930 HG22 :: 0.930 HG23 :: 0.930 HD11 :: 0.833 HD12 :: 0.833 HD13 :: 0.833 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 117.646 Ave N Shift Values>> N :: 121.46(4.28) 1.M114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.58 M 0.3 Q 0.08 E 0.02 C Shift Assignments>> C :: 177.674 CA :: 58.173 CB :: 33.162 CG :: 33.465 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.056 HA :: 4.404 HB2 :: 2.396 HB3 :: 2.396 HG2 :: 2.406 HG3 :: 2.406 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 118.297 Ave N Shift Values>> N :: 120.09(3.57) 1.E115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 E 0.26 I 0.18 K 0.08 Q 0.05 M 0.01 HN Overlap>> 1.D116 1.D116 1.L43 1.L43 C Shift Assignments>> C :: 177.913 CA :: 60.475 CB :: 29.414 CG :: 35.656 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.315 HA :: 3.609 HB2 :: 2.358 HB3 :: 2.131 HG2 :: 2.581 HG3 :: 2.581 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.607 Ave N Shift Values>> N :: 120.67(3.48) 1.D116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.29 Y 0.27 C 0.13 D 0.08 L 0.08 I 0.07 N 0.02 K 0.01 HN Overlap>> 1.E115 1.L43 1.E115 1.L43 C Shift Assignments>> CA :: 57.582 CB :: 39.909 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.351 HA :: 4.357 HB2 :: 3.133 HB3 :: 2.706 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 118.669 Ave N Shift Values>> N :: 120.65(3.86) 1.I117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.87 C 0.12 C Shift Assignments>> C :: 178.176 CA :: 65.643 CB :: 38.465 CG1 :: 29.397 CG2 :: 17.535 CD1 :: 15.033 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.540 HA :: 3.684 HB :: 2.184 HG12 :: 0.819 HG13 :: 0.819 HG21 :: 0.835 HG22 :: 0.835 HG23 :: 0.835 HD11 :: 0.891 HD12 :: 0.891 HD13 :: 0.891 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 121.423 Ave N Shift Values>> N :: 121.46(4.28) 1.I118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.91 C 0.08 C Shift Assignments>> C :: 177.579 CA :: 65.774 CB :: 38.420 CG1 :: 28.806 CG2 :: 17.237 CD1 :: 13.467 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.962 HA :: 3.540 HB :: 1.838 HG12 :: 0.966 HG13 :: 0.966 HG21 :: 0.636 HG22 :: 0.636 HG23 :: 0.636 HD11 :: 0.590 HD12 :: 0.590 HD13 :: 0.590 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 120.865 Ave N Shift Values>> N :: 121.46(4.28) 1.R119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 R 0.4 G 0.06 K 0.03 C Shift Assignments>> C :: 178.510 CA :: 60.328 CB :: 29.740 CG :: 27.531 CD :: 43.148 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.207 HA :: 3.691 HB2 :: 2.176 HB3 :: 1.990 HG2 :: 1.752 HG3 :: 1.752 HD2 :: 3.439 HD3 :: 3.346 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 118.742 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.E120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 E 0.24 K 0.14 I 0.13 Q 0.11 C Shift Assignments>> C :: 179.023 CA :: 59.561 CB :: 28.789 CG :: 35.334 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.830 HA :: 4.071 HB2 :: 2.288 HB3 :: 2.124 HG2 :: 2.327 HG3 :: 2.502 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.380 Ave N Shift Values>> N :: 120.67(3.48) 1.C121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.52 I 0.38 C 0.08 C Shift Assignments>> C :: 178.032 CA :: 64.821 CB :: 26.964 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.483 HA :: 3.945 HB2 :: 3.366 HB3 :: 3.366 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 115.253 Ave N Shift Values>> N :: 120.17(4.64) 1.M122 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.59 Q 0.17 M 0.08 K 0.06 E 0.05 I 0.01 C Shift Assignments>> C :: 178.701 CA :: 60.308 CB :: 31.071 CG :: 33.588 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 7.496 HA :: 3.618 HB2 :: 1.452 HB3 :: 0.858(S) HG2 :: 2.739 HG3 :: 2.077 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 120.054 Ave N Shift Values>> N :: 120.09(3.57) 1.E123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 E 0.3 I 0.23 K 0.04 Q 0.01 M 0.01 C Shift Assignments>> C :: 180.772 CA :: 59.906 CB :: 29.504 CG :: 36.599 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.618 HA :: 4.076 HB2 :: 2.447 HB3 :: 2.133 HG2 :: 2.708 HG3 :: 2.708 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.109 Ave N Shift Values>> N :: 120.67(3.48) 1.I124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.85 C 0.14 C Shift Assignments>> C :: 178.391 CA :: 65.128 CB :: 38.218 CG1 :: 29.425 CG2 :: 17.205 CD1 :: 14.721 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 9.079 HA :: 3.637 HB :: 1.682 HG12 :: 1.956 HG13 :: 0.960 HG21 :: 0.698 HG22 :: 0.698 HG23 :: 0.698 HD11 :: 0.826 HD12 :: 0.826 HD13 :: 0.826 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 121.173 Ave N Shift Values>> N :: 121.46(4.28) 1.T125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.9 C 0.09 HN Overlap>> 1.L64 1.L64 C Shift Assignments>> C :: 175.704 CA :: 69.390 CB :: 68.079 CG2 :: 22.227 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.342 HA :: 3.446 HB :: 4.183 HG21 :: 0.896 HG22 :: 0.896 HG23 :: 0.896 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 117.588 Ave N Shift Values>> N :: 115.42(4.75) 1.E126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.32 E 0.28 K 0.14 Q 0.13 I 0.07 M 0.02 C Shift Assignments>> C :: 180.540 CA :: 58.943 CB :: 29.402 CG :: 35.346 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.906 HA :: 4.389 HB2 :: 2.330 HB3 :: 2.097 HG2 :: 2.332 HG3 :: 2.506 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.386 Ave N Shift Values>> N :: 120.67(3.48) 1.S127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.931 CA :: 61.629 CB :: 62.721 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.743 HA :: 4.354 HB2 :: 4.053 HB3 :: 4.053 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 119.027 Ave N Shift Values>> N :: 116.28(3.52) 1.L128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.67 C 0.24 R 0.05 G 0.02 C Shift Assignments>> C :: 175.704 CA :: 54.611 CB :: 42.453 CG :: 26.913 CD1 :: 25.313 CD2 :: 25.037 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.559 HA :: 4.325 HB2 :: 1.594 HB3 :: 1.517 HG :: 1.663 HD11 :: 0.966 HD12 :: 0.966 HD13 :: 0.966 HD21 :: 0.558 HD22 :: 0.558 HD23 :: 0.558 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.009 Ave N Shift Values>> N :: 121.86(3.9) 1.S129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.498 CA :: 58.691 CB :: 60.712 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.248 HA :: 4.393 HB2 :: 4.123 HB3 :: 4.123 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 111.874 Ave N Shift Values>> N :: 116.28(3.52) 1.L130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.46 L 0.27 C 0.25 C Shift Assignments>> C :: 176.128 CA :: 52.982 CB :: 41.601 CG :: 27.365 CD1 :: 21.897 CD2 :: 21.622 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.384 HA :: 4.639 HB2 :: 1.766 HB3 :: 1.766 HG :: 0.968 HD11 :: 0.855 HD12 :: 0.855 HD13 :: 0.855 HD21 :: 0.876 HD22 :: 0.876 HD23 :: 0.876 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 117.856 Ave N Shift Values>> N :: 121.86(3.9) 1.K131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 K 0.43 R 0.09 C Shift Assignments>> C :: 177.531 CA :: 57.411 CB :: 35.370 CG :: 25.028 CD :: 29.103 CE :: 41.901 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.654 HA :: 5.089 HB2 :: 1.845 HB3 :: 1.845 HG2 :: 1.519 HG3 :: 1.438 HD2 :: 1.711 HD3 :: 1.711 HE2 :: 2.996 HE3 :: 2.996 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 116.722 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.S132 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> S 0.87 T 0.12 C Shift Assignments>> C :: 172.145 CA :: 55.141 CB :: 66.725 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.707 HA :: 5.833(S) HB2 :: 3.356 HB3 :: 3.356 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 111.064 Ave N Shift Values>> N :: 116.28(3.52) 1.I133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.74 I 0.22 A 0.02 C Shift Assignments>> C :: 170.676 CA :: 57.438 CB :: 41.315 CG1 :: 28.940 CG2 :: 15.973 CD1 :: 14.722 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.918 HA :: 4.941 HB :: 1.563 HG12 :: 0.048 HG13 :: 0.048 HG21 :: 0.882 HG22 :: 0.882 HG23 :: 0.882 HD11 :: 0.195 HD12 :: 0.195 HD13 :: 0.195 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 117.710 Ave N Shift Values>> N :: 121.46(4.28) 1.A134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.8 C 0.07 G 0.06 L 0.05 C Shift Assignments>> C :: 175.704 CA :: 49.174 CB :: 21.559 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.199 HA :: 5.611 HB1 :: 1.326 HB2 :: 1.326 HB3 :: 1.326 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 128.020 Ave N Shift Values>> N :: 123.23(3.54) 1.F135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.28 D 0.19 K 0.16 R 0.14 F 0.07 Y 0.04 C 0.04 N 0.02 C Shift Assignments>> CA :: 54.960 CB :: 42.379 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 9.425 HA :: 5.236 HB2 :: 3.461 HB3 :: 3.124 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 120.223 Ave N Shift Values>> N :: 120.45(4.18) 1.P136 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> C 0.53 P 0.46 C Shift Assignments>> CA :: 61.877 CB :: 33.282 CG :: 27.883 CD :: 51.112 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 5.862(S) HB2 :: 2.131 HB3 :: 2.131 HG2 :: 2.201 HG3 :: 2.201 HD2 :: 3.736 HD3 :: 3.736 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.A137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.79 M 0.19 C Shift Assignments>> CA :: 50.502 CB :: 16.547 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.490 HA :: 4.693 HB1 :: 1.290 HB2 :: 1.290 HB3 :: 1.290 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.779 Ave N Shift Values>> N :: 123.23(3.54) 1.I138 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.75 L 0.14 C 0.03 R 0.03 F 0.01 D 0.01 C Shift Assignments>> C :: 175.142 CA :: 45.012 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> HA2 :: 4.352 HA3 :: 3.483 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) 1.T140 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.89 C 0.1 C Shift Assignments>> C :: 174.274 CA :: 61.935 CB :: 70.890 CG2 :: 20.342 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.034 HA :: 4.186 HB :: 4.588 HG21 :: 0.902 HG22 :: 0.902 HG23 :: 0.902 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 104.561 Ave N Shift Values>> N :: 115.42(4.75) 1.G141 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.48 L 0.24 R 0.14 C 0.04 F 0.03 D 0.02 Y 0.01 C Shift Assignments>> C :: 175.489 CA :: 44.440 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.015 HA2 :: 4.457 HA3 :: 4.143 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 114.793 Ave N Shift Values>> N :: 109.67(3.87) 1.N142 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Suspicious PRTL>> E 0.26 C 0.23 Y 0.13 N 0.09 M 0.09 F 0.08 I 0.02 K 0.02 D 0.01 C Shift Assignments>> CA :: 55.963 CB :: 36.813 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 10.066 HA :: 4.655 HB2 :: 2.459 HB3 :: 2.710 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 132.377(S) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L143 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.65 L 0.26 A 0.07 C Shift Assignments>> C :: 179.226 CA :: 56.924 CB :: 40.306 CG :: 26.019 CD1 :: 21.900 CD2 :: 21.609 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> HA :: 4.674 HB2 :: 2.214 HB3 :: 2.214 HG :: 1.846 HD11 :: 0.854 HD12 :: 0.854 HD13 :: 0.854 HD21 :: 0.861 HD22 :: 0.861 HD23 :: 0.861 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) 1.G144 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.05 C 0.04 C Shift Assignments>> CA :: 46.546 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.458 HA2 :: 4.118 HA3 :: 3.762 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 104.618 Ave N Shift Values>> N :: 109.67(3.87) 1.F145 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P146 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> C 0.53 P 0.45 G 0.01 C Shift Assignments>> C :: 178.199 CA :: 62.000 CB :: 32.052 CG :: 27.847 CD :: 48.763 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.172 HB2 :: 2.332 HB3 :: 1.480 HG2 :: 1.986 HG3 :: 1.928 HD2 :: 1.906(S) HD3 :: 1.332(S) Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) SRO Rule Breaks>> (HD2 > HG2 : 0.9934) (HD3 > HG2 : 0.9928) (HD2 > HG3 : 0.9949) (HD3 > HG3 : 0.9953) 1.K147 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 K 0.43 R 0.05 C Shift Assignments>> C :: 178.164 CA :: 60.754 CB :: 31.890 CG :: 24.718 CD :: 29.191 CE :: 41.902 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.937 HA :: 4.072 HB2 :: 1.908 HB3 :: 1.536 HG2 :: 1.359 HG3 :: 1.359 HD2 :: 1.651 HD3 :: 1.651 HE2 :: 2.975 HE3 :: 2.975 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 125.776 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.N148 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.27 C 0.23 M 0.16 K 0.08 Q 0.07 Y 0.06 F 0.03 N 0.02 I 0.01 H 0.01 C Shift Assignments>> C :: 177.256 CA :: 56.241 CB :: 35.699 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.764 HA :: 4.267 HB2 :: 2.823 HB3 :: 2.823 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 115.279 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.I149 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.63 C 0.36 C Shift Assignments>> C :: 178.104 CA :: 62.495 CB :: 37.043 CG1 :: 27.528 CG2 :: 16.283 CD1 :: 10.972 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 6.724 HA :: 3.827 HB :: 1.731 HG12 :: 1.474 HG13 :: 1.314 HG21 :: 0.998 HG22 :: 0.998 HG23 :: 0.998 HD11 :: 0.873 HD12 :: 0.873 HD13 :: 0.873 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 121.158 Ave N Shift Values>> N :: 121.46(4.28) 1.F150 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.62 C 0.14 F 0.11 Y 0.11 HN Overlap>> 1.E67 1.E67 C Shift Assignments>> C :: 174.999 CA :: 63.004 CB :: 39.370 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.480 HA :: 3.843 HB2 :: 3.078 HB3 :: 2.723 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 120.572 Ave N Shift Values>> N :: 120.45(4.18) 1.A151 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> M 0.77 A 0.17 I 0.02 C 0.01 C Shift Assignments>> C :: 177.961 CA :: 55.050 CB :: 15.981 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.789 HA :: 2.928 HB1 :: 0.372(S) HB2 :: 0.372(S) HB3 :: 0.372(S) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 118.662 Ave N Shift Values>> N :: 123.23(3.54) 1.E152 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 E 0.29 I 0.19 K 0.09 Q 0.05 C Shift Assignments>> C :: 177.555 CA :: 59.556 CB :: 28.885 CG :: 35.977 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 6.846 HA :: 3.433 HB2 :: 1.930 HB3 :: 1.839 HG2 :: 2.214 HG3 :: 2.214 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 113.780 Ave N Shift Values>> N :: 120.67(3.48) 1.L153 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.53 C 0.44 R 0.01 C Shift Assignments>> C :: 179.446 CA :: 58.637 CB :: 41.601 CG :: 26.728 CD1 :: 25.342 CD2 :: 25.043 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.808 HA :: 3.919 HB2 :: 1.875 HB3 :: 1.721 HG :: 1.019 HD11 :: 0.650 HD12 :: 0.650 HD13 :: 0.650 HD21 :: 0.643 HD22 :: 0.643 HD23 :: 0.643 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.968 Ave N Shift Values>> N :: 121.86(3.9) 1.I154 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.78 C 0.21 HN Overlap>> 1.M79 1.M79 C Shift Assignments>> C :: 176.122 CA :: 65.763 CB :: 36.596 CG1 :: 30.341 CG2 :: 16.577 CD1 :: 13.299 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.507 HA :: 3.631 HB :: 0.782(S) HG12 :: 1.223 HG13 :: 0.910 HG21 :: 0.650 HG22 :: 0.650 HG23 :: 0.650 HD11 :: 0.398 HD12 :: 0.398 HD13 :: 0.398 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 119.358 Ave N Shift Values>> N :: 121.46(4.28) 1.I155 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.72 C 0.27 C Shift Assignments>> CA :: 66.660 CB :: 37.280 CG1 :: 31.270 CG2 :: 17.219 CD1 :: 14.590 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.285 HA :: 3.631 HB :: 1.654 HG12 :: 1.575 HG13 :: 0.977 HG21 :: 0.691 HG22 :: 0.691 HG23 :: 0.691 HD11 :: 0.710 HD12 :: 0.710 HD13 :: 0.710 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 123.130 Ave N Shift Values>> N :: 121.46(4.28) 1.S156 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.97 T 0.02 HN Overlap>> 1.T7 1.T7 C Shift Assignments>> CA :: 62.616 CB :: 64.362 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.202 HA :: 4.068 HB2 :: 3.841 HB3 :: 3.841 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 114.832 Ave N Shift Values>> N :: 116.28(3.52) 1.E157 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 E 0.35 I 0.18 K 0.04 Q 0.01 M 0.01 HN Overlap>> 1.V15 1.V158 1.V15 1.V158 C Shift Assignments>> C :: 179.358 CA :: 58.971 CB :: 29.460 CG :: 36.758 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.476 HA :: 4.045 HB2 :: 2.044 HB3 :: 2.175 HG2 :: 2.455 HG3 :: 2.455 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 122.846 Ave N Shift Values>> N :: 120.67(3.48) 1.V158 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.92 C 0.07 HN Overlap>> 1.E157 1.E157 C Shift Assignments>> C :: 176.550 CA :: 67.751 CB :: 31.381 CG1 :: 23.157 CG2 :: 22.230 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.556 HA :: 3.602 HB :: 2.468 HG11 :: 0.972 HG12 :: 0.972 HG13 :: 0.972 HG21 :: 1.209 HG22 :: 1.209 HG23 :: 1.209 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 122.802 Ave N Shift Values>> N :: 121.14(4.54) 1.F159 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.58 C 0.16 Y 0.12 F 0.11 C Shift Assignments>> CA :: 62.520 CB :: 38.667 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.615 HA :: 4.095 HB2 :: 3.375 HB3 :: 3.129 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 120.265 Ave N Shift Values>> N :: 120.45(4.18) 1.K160 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.F161 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S162 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 174.295 CA :: 59.218 CB :: 64.060 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> HA :: 4.208 HB2 :: 3.974 HB3 :: 3.974 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) 1.S163 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 60.197 CB :: 63.838 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.868 HA :: 4.353 HB2 :: 4.001 HB3 :: 4.001 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 113.541 Ave N Shift Values>> N :: 116.28(3.52) 1.K164 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.N165 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.Q166 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.L167 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.K168 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> K 0.46 C 0.45 R 0.07 C Shift Assignments>> C :: 178.032 CA :: 57.634 CB :: 33.500 CG :: 24.728 CD :: 28.948 CE :: 41.886 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> HA :: 4.390 HB2 :: 2.062 HB3 :: 1.895 HG2 :: 1.418 HG3 :: 1.418 HD2 :: 1.703 HD3 :: 1.703 HE2 :: 3.024 HE3 :: 3.024 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) 1.T169 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 :: 174.856 CA :: 62.704 CB :: 70.010 CG2 :: 21.280 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 9.142 HA :: 4.460 HB :: 3.703 HG21 :: 0.998 HG22 :: 0.998 HG23 :: 0.998 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 111.302 Ave N Shift Values>> N :: 115.42(4.75) 1.L170 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.59 C 0.38 R 0.01 C Shift Assignments>> C :: 175.913 CA :: 57.606 CB :: 41.625 CG :: 26.600 CD1 :: 25.030 CD2 :: 23.468 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.121 HA :: 4.201 HB2 :: 1.373 HB3 :: 1.373 HG :: 0.835 HD11 :: 0.855 HD12 :: 0.855 HD13 :: 0.855 HD21 :: 0.784 HD22 :: 0.784 HD23 :: 0.784 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 127.592 Ave N Shift Values>> N :: 121.86(3.9) 1.Q171 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 M 0.42 Q 0.1 E 0.03 C Shift Assignments>> C :: 176.128 CA :: 56.269 CB :: 33.156 CG :: 33.774 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 9.121 HA :: 4.674 HB2 :: 2.232 HB3 :: 2.012 HG2 :: 2.537 HG3 :: 2.466 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 123.985 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.E172 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.86 M 0.09 E 0.03 C Shift Assignments>> C :: 174.112 CA :: 54.842 CB :: 34.885 CG :: 35.952 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.876 HA :: 5.495 HB2 :: 1.970 HB3 :: 1.845 HG2 :: 2.196 HG3 :: 2.196 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.064 Ave N Shift Values>> N :: 120.67(3.48) 1.V173 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.54 C 0.45 C Shift Assignments>> C :: 173.853 CA :: 60.810 CB :: 33.965 CG1 :: 22.243 CG2 :: 20.597 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.086 HA :: 4.670 HB :: 1.918 HG11 :: 0.758 HG12 :: 0.758 HG13 :: 0.758 HG21 :: 0.702 HG22 :: 0.702 HG23 :: 0.702 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 122.791 Ave N Shift Values>> N :: 121.14(4.54) 1.H174 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.27 C 0.21 Q 0.2 K 0.13 H 0.05 R 0.04 W 0.02 E 0.01 N 0.01 C Shift Assignments>> C :: 173.932 CA :: 53.121 CB :: 33.858 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 9.529 HA :: 5.186 HB2 :: 2.865 HB3 :: 2.740 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 126.859 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.F175 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.24 Y 0.18 F 0.16 C 0.15 D 0.12 L 0.04 E 0.03 I 0.02 M 0.01 C Shift Assignments>> C :: 173.327 CA :: 55.280 CB :: 38.508 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 9.263 HA :: 5.743 HB2 :: 2.819 HB3 :: 2.441 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 123.804 Ave N Shift Values>> N :: 120.45(4.18) 1.L176 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.56 C 0.37 R 0.04 C Shift Assignments>> C :: 174.832 CA :: 52.452 CB :: 41.318 CG :: 28.815 CD1 :: 25.343 CD2 :: 25.048 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.075 HA :: 4.985 HB2 :: 1.761 HB3 :: 1.414 HG :: 1.722 HD11 :: 0.800 HD12 :: 0.800 HD13 :: 0.800 HD21 :: 0.864 HD22 :: 0.864 HD23 :: 0.864 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 128.831 Ave N Shift Values>> N :: 121.86(3.9) 1.L177 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.6 A 0.22 C 0.15 G 0.01 C Shift Assignments>> C :: 174.342 CA :: 51.672 CB :: 41.889 CG :: 26.279 CD1 :: 22.824 CD2 :: 22.545 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.885 HA :: 4.628 HB2 :: 1.422 HB3 :: 1.233 HG :: 0.509 HD11 :: 0.288 HD12 :: 0.288 HD13 :: 0.288 HD21 :: 0.288 HD22 :: 0.288 HD23 :: 0.288 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 126.300 Ave N Shift Values>> N :: 121.86(3.9) 1.H178 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.15 R 0.15 E 0.13 W 0.13 Q 0.12 C 0.12 M 0.08 K 0.06 C Shift Assignments>> CA :: 56.269 CB :: 30.373 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.992 HA :: 3.581 HB2 :: 2.626 HB3 :: 2.626 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 124.274 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.P179 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> P 0.83 C 0.16 C Shift Assignments>> C :: 177.119 CA :: 64.800 CB :: 31.573 CG :: 27.046 CD :: 49.408 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 3.848 HB2 :: 2.083 HB3 :: 1.765 HG2 :: 1.826 HG3 :: 1.973 HD2 :: 2.974 HD3 :: 1.989(S) Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.S180 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.617 CA :: 58.569 CB :: 63.625 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.662 HA :: 4.397 HB2 :: 3.995 HB3 :: 3.915 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 113.492 Ave N Shift Values>> N :: 116.28(3.52) 1.D181 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.65 D 0.15 C 0.08 F 0.03 L 0.03 Y 0.03 C Shift Assignments>> C :: 175.847 CA :: 51.227 CB :: 38.890 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.521 HA :: 4.768 HB2 :: 3.415 HB3 :: 2.341 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 125.179 Ave N Shift Values>> N :: 120.65(3.86) 1.H182 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.15 C 0.14 E 0.14 K 0.13 Q 0.12 H 0.11 R 0.1 I 0.04 M 0.02 C Shift Assignments>> C :: 177.674 CA :: 58.151 CB :: 29.359 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 7.746 HA :: 4.666 HB2 :: 3.215 HB3 :: 3.215 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 121.721 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.E183 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 E 0.36 I 0.12 M 0.03 K 0.03 Q 0.01 C Shift Assignments>> C :: 179.919 CA :: 59.231 CB :: 30.186 CG :: 36.660 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.092 HA :: 4.175 HB2 :: 1.971 HB3 :: 1.971 HG2 :: 2.433 HG3 :: 2.296 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.199 Ave N Shift Values>> N :: 120.67(3.48) 1.N184 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.22 C 0.18 F 0.18 N 0.16 D 0.08 E 0.06 I 0.03 L 0.03 M 0.02 C Shift Assignments>> C :: 178.080 CA :: 55.921 CB :: 38.218 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.554 HA :: 4.934 HB2 :: 2.728 HB3 :: 2.547 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 120.445 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.I185 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.81 C 0.18 C Shift Assignments>> C :: 178.940 CA :: 66.549 CB :: 38.195 CG1 :: 30.967 CG2 :: 17.220 CD1 :: 13.765 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.306 HA :: 3.524 HB :: 1.785 HG12 :: 0.586 HG13 :: 0.586 HG21 :: 0.839 HG22 :: 0.839 HG23 :: 0.839 HD11 :: 0.704 HD12 :: 0.704 HD13 :: 0.704 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 120.068 Ave N Shift Values>> N :: 121.46(4.28) 1.Q186 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.32 K 0.26 Q 0.24 R 0.08 E 0.03 M 0.02 I 0.01 C Shift Assignments>> C :: 176.862 CA :: 58.804 CB :: 28.514 CG :: 33.423 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.542 HA :: 3.936 HB2 :: 2.172 HB3 :: 2.172 HG2 :: 2.395 HG3 :: 2.395 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 121.257 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.A187 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.59 A 0.34 I 0.03 C 0.02 C Shift Assignments>> C :: 181.472 CA :: 55.043 CB :: 17.649 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.001 HA :: 4.164 HB1 :: 1.440 HB2 :: 1.440 HB3 :: 1.440 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.728 Ave N Shift Values>> N :: 123.23(3.54) 1.F188 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.62 C 0.14 Y 0.11 F 0.11 C Shift Assignments>> CA :: 62.991 CB :: 39.309 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.799 HA :: 3.797 HB2 :: 2.999 HB3 :: 2.590 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 116.092 Ave N Shift Values>> N :: 120.45(4.18) 1.S189 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 176.972 CA :: 62.978 CB :: 63.478 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> HA :: 3.992 HB2 :: 3.913 HB3 :: 3.913 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) 1.D190 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.27 Y 0.27 C 0.13 D 0.1 L 0.08 I 0.06 N 0.03 C Shift Assignments>> C :: 178.892 CA :: 57.244 CB :: 39.741 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.791 HA :: 4.450 HB2 :: 2.831 HB3 :: 2.615 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 122.221 Ave N Shift Values>> N :: 120.65(3.86) 1.E191 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 E 0.36 I 0.15 K 0.06 Q 0.02 M 0.01 C Shift Assignments>> C :: 177.961 CA :: 58.741 CB :: 29.407 CG :: 36.596 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.602 HA :: 3.900 HB2 :: 2.134 HB3 :: 2.013 HG2 :: 2.453 HG3 :: 2.232 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.994 Ave N Shift Values>> N :: 120.67(3.48) 1.F192 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.47 C 0.2 Y 0.15 F 0.12 E 0.02 C Shift Assignments>> C :: 178.271 CA :: 61.581 CB :: 37.894 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.884 HA :: 4.047 HB2 :: 3.441 HB3 :: 2.765 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 121.061 Ave N Shift Values>> N :: 120.45(4.18) 1.A193 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.56 A 0.37 I 0.03 C 0.02 C Shift Assignments>> C :: 180.373 CA :: 54.952 CB :: 17.796 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.012 HA :: 4.116 HB1 :: 1.550 HB2 :: 1.550 HB3 :: 1.550 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 118.639 Ave N Shift Values>> N :: 123.23(3.54) 1.R194 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 R 0.41 K 0.1 G 0.04 C Shift Assignments>> C :: 178.235 CA :: 58.581 CB :: 30.589 CG :: 27.820 CD :: 43.154 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.801 HA :: 4.117 HB2 :: 1.919 HB3 :: 1.919 HG2 :: 1.715 HG3 :: 1.715 HD2 :: 3.138 HD3 :: 3.138 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 116.933 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.R195 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.46 C 0.33 K 0.16 G 0.03 C Shift Assignments>> C :: 175.978 CA :: 55.550 CB :: 30.589 CG :: 27.847 CD :: 42.892 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.544 HA :: 4.243 HB2 :: 1.877 HB3 :: 1.877 HG2 :: 1.638 HG3 :: 1.638 HD2 :: 2.783 HD3 :: 2.605 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 116.054 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.A196 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.86 M 0.1 C 0.02 C Shift Assignments>> C :: 176.408 CA :: 52.842 CB :: 19.342 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.482 HA :: 4.261 HB1 :: 1.506 HB2 :: 1.506 HB3 :: 1.506 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.499 Ave N Shift Values>> N :: 123.23(3.54) 1.N197 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 L 0.18 N 0.13 F 0.13 Y 0.11 C 0.07 K 0.04 C Shift Assignments>> CA :: 54.834 CB :: 40.495 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.730 HA :: 4.495 HB2 :: 2.797 HB3 :: 2.686 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 122.714 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 2.APR1 Overall Status: Residue type APR not supported. ########################################################################### Overall Results: #Consistent: 182 #Clerical: 0 #Suspicious: 13 #Anomalous: 1 #Mistyped: 1 #Indeterminable: 0 Typing Results: #Consistent: 175 #Suspicious: 0 #Mistyped: 1 #Indeterminable: 21 Shift Relative Order (SRO) Results: #Consistent: 196 #Suspicious: 1 C Shift Results: #Consistent: 704 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent:1132 #Duplicate: 0 #Unknown: 0 #Suspicious: 20 #Anomalous: 1 N Shift Results: #Consistent: 159 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 Error Summary: 1.V29 H = 10.623(S), Expected = 8.29, Std = 0.6700, ChiSquare = 4.9752e-04 1.Q30 H = 10.167(S), Expected = 8.22, Std = 0.5900, ChiSquare = 9.6685e-04 1.T34 HG21 = 0.329(S), Expected = 1.14, Std = 0.2300, ChiSquare = 4.2175e-04 1.T34 HG22 = 0.329(S), Expected = 1.14, Std = 0.2300, ChiSquare = 4.2175e-04 1.T34 HG23 = 0.329(S), Expected = 1.14, Std = 0.2300, ChiSquare = 4.2175e-04 1.P42 HA = 5.868(S), Expected = 4.40, Std = 0.3300, ChiSquare = 8.6478e-06 1.R49 Typing: Mistyped 1.R49 HD2 = 2.039(S), Expected = 3.12, Std = 0.2400, ChiSquare = 6.6634e-06 1.R49 HD3 = 2.039(S), Expected = 3.10, Std = 0.2600, ChiSquare = 4.4887e-05 1.E63 HB2 = 0.255(A), Expected = 2.02, Std = 0.2100, ChiSquare = 4.2873e-17 1.E63 HB3 = -0.144(S), Expected = 1.99, Std = 0.2300, ChiSquare = 1.7227e-20 1.S87 HB3 = 2.930(S), Expected = 3.85, Std = 0.2700, ChiSquare = 6.5583e-04 1.M122 HB3 = 0.858(S), Expected = 1.99, Std = 0.3400, ChiSquare = 8.7030e-04 1.S132 HA = 5.833(S), Expected = 4.48, Std = 0.4000, ChiSquare = 7.1829e-04 1.P136 HA = 5.862(S), Expected = 4.40, Std = 0.3300, ChiSquare = 9.4101e-06 1.N142 N = 132.377(S), Expected = 118.93, Std = 4.0300, ChiSquare = 8.4772e-04 1.P146 HD2 = 1.906(S), Expected = 3.65, Std = 0.3500, ChiSquare = 6.2652e-07 1.P146 HD3 = 1.332(S), Expected = 3.61, Std = 0.3900, ChiSquare = 5.1880e-09 1.P146 SRO Rule Break>> HD2 > HG2 : 0.993449781659389 1.P146 SRO Rule Break>> HD3 > HG2 : 0.992802519118309 1.P146 SRO Rule Break>> HD2 > HG3 : 0.994893221912721 1.P146 SRO Rule Break>> HD3 > HG3 : 0.995296331138288 1.A151 HB1 = 0.372(S), Expected = 1.35, Std = 0.2600, ChiSquare = 1.6887e-04 1.A151 HB2 = 0.372(S), Expected = 1.35, Std = 0.2600, ChiSquare = 1.6887e-04 1.A151 HB3 = 0.372(S), Expected = 1.35, Std = 0.2600, ChiSquare = 1.6887e-04 1.I154 HB = 0.782(S), Expected = 1.78, Std = 0.2900, ChiSquare = 5.7876e-04 1.P179 HD3 = 1.989(S), Expected = 3.61, Std = 0.3900, ChiSquare = 3.2329e-05