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.P2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.72 C 0.27 C Shift Assignments>> C :: 177.102 CA :: 63.150 CB :: 32.241 CG :: 26.744 CD :: 49.499 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 :: 4.420 HB2 :: 2.288 HB3 :: 1.919 HG2 :: 1.984 HG3 :: 1.995 HD2 :: 3.551 HD3 :: 3.558 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.M3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.46 C 0.34 Q 0.15 K 0.01 E 0.01 C Shift Assignments>> C :: 176.304 CA :: 55.761 CB :: 32.817 CG :: 32.073 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 :: 8.543 HA :: 4.436 HB2 :: 2.062 HB3 :: 2.074 HG2 :: 2.589 HG3 :: 2.603 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 :: 120.090 Ave N Shift Values>> N :: 120.09(3.57) 1.E4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.39 C 0.31 K 0.08 M 0.08 Q 0.08 I 0.02 C Shift Assignments>> C :: 176.298 CA :: 56.472 CB :: 30.019 CG :: 36.056 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 :: 8.321 HA :: 4.274 HB2 :: 1.966 HB3 :: 1.983 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 :: 122.032 Ave N Shift Values>> N :: 120.67(3.48) 1.L5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.66 C 0.27 A 0.03 R 0.01 G 0.01 HN Overlap>> 1.K115 1.K115 1.R60 1.R60 C Shift Assignments>> C :: 177.360 CA :: 55.022 CB :: 42.395 CG :: 26.786 CD1 :: 23.244 CD2 :: 24.531 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 :: 8.180 HA :: 4.354 HB2 :: 1.584 HB3 :: 1.596 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 123.051 Ave N Shift Values>> N :: 121.86(3.9) 1.S6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.S13 1.S13 C Shift Assignments>> C :: 174.518 CA :: 58.084 CB :: 63.692 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.257 HA :: 4.460 HB2 :: 3.825 HB3 :: 3.811 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 :: 116.773 Ave N Shift Values>> N :: 116.28(3.52) 1.V7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.6 C 0.39 HN Overlap>> 1.R39 1.R39 C Shift Assignments>> C :: 176.209 CA :: 61.933 CB :: 32.804 CG1 :: 20.093 CG2 :: 20.474 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 :: 8.087 HA :: 4.195 HB :: 2.083 HG11 :: 0.898 HG12 :: 0.898 HG13 :: 0.898 HG21 :: 0.885 HG22 :: 0.885 HG23 :: 0.885 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 :: 121.181 Ave N Shift Values>> N :: 121.14(4.54) 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 :: 174.755 CA :: 58.084 CB :: 63.931 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.358 HA :: 4.497 HB2 :: 3.859 HB3 :: 3.844 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 :: 119.163 Ave N Shift Values>> N :: 116.28(3.52) 1.S9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.481 CA :: 58.283 CB :: 63.830 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.402 HA :: 4.458 HB2 :: 3.863 HB3 :: 3.847 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 :: 118.052 Ave N Shift Values>> N :: 116.28(3.52) 1.D10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 L 0.21 N 0.11 F 0.1 K 0.09 Y 0.07 C 0.05 HN Overlap>> 1.K50 1.K50 1.D12 1.D12 C Shift Assignments>> C :: 176.527 CA :: 54.399 CB :: 41.009 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 :: 8.347 HA :: 4.623 HB2 :: 2.656 HB3 :: 2.637 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 :: 122.259 Ave N Shift Values>> N :: 120.65(3.86) 1.S11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.566 CA :: 58.638 CB :: 63.824 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.181 HA :: 4.435 HB2 :: 3.895 HB3 :: 3.877 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 :: 115.597 Ave N Shift Values>> N :: 116.28(3.52) 1.D12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 L 0.21 N 0.11 F 0.1 K 0.09 Y 0.07 C 0.05 R 0.01 HN Overlap>> 1.K50 1.D58 1.D10 1.K50 1.D58 1.D10 C Shift Assignments>> C :: 176.802 CA :: 54.385 CB :: 41.054 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 :: 8.304 HA :: 4.634 HB2 :: 2.694 HB3 :: 2.683 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 :: 122.219 Ave N Shift Values>> N :: 120.65(3.86) 1.S13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.S6 1.S6 C Shift Assignments>> C :: 175.207 CA :: 58.702 CB :: 63.610 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.284 HA :: 4.415 HB2 :: 3.883 HB3 :: 3.898 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 :: 116.715 Ave N Shift Values>> N :: 116.28(3.52) 1.S14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.L70 1.L70 C Shift Assignments>> C :: 174.962 CA :: 59.061 CB :: 63.556 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.346 HA :: 4.397 HB2 :: 3.890 HB3 :: 3.906 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 :: 117.856 Ave N Shift Values>> N :: 116.28(3.52) 1.Q15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.51 C 0.39 E 0.08 C Shift Assignments>> C :: 175.968 CA :: 55.837 CB :: 29.051 CG :: 33.551 CD :: 180.550 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 :: 8.208 HA :: 4.310 HB2 :: 1.948 HB3 :: 2.132 HG2 :: 2.327 HG3 :: 2.345 HE21 :: 6.795 HE22 :: 7.473 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 :: 121.434 NE2 :: 112.419 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.A16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.84 M 0.12 C 0.01 C Shift Assignments>> C :: 178.395 CA :: 52.803 CB :: 19.052 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.168 HA :: 4.251 HB1 :: 1.364 HB2 :: 1.364 HB3 :: 1.364 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.555 Ave N Shift Values>> N :: 123.23(3.54) 1.G17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.83 L 0.1 C 0.02 R 0.01 F 0.01 C Shift Assignments>> C :: 174.536 CA :: 45.267 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.312 HA2 :: 3.928 HA3 :: 3.945 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.968 Ave N Shift Values>> N :: 109.67(3.87) 1.S18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.T63 1.T63 C Shift Assignments>> C :: 174.641 CA :: 58.394 CB :: 63.774 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.151 HA :: 4.466 HB2 :: 3.888 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 :: 115.393 Ave N Shift Values>> N :: 116.28(3.52) 1.N19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.64 D 0.23 C 0.11 HN Overlap>> 1.R45 1.R45 C Shift Assignments>> C :: 175.154 CA :: 53.201 CB :: 38.782 CG :: 177.343 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 :: 8.465 HA :: 4.701 HB2 :: 2.783 HB3 :: 2.805 HD21 :: 6.887 HD22 :: 7.546 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 :: 120.646 ND2 :: 112.918 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.A20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.83 M 0.14 C 0.01 C Shift Assignments>> C :: 178.248 CA :: 52.965 CB :: 19.038 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.182 HA :: 4.237 HB1 :: 1.357 HB2 :: 1.357 HB3 :: 1.357 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.952 Ave N Shift Values>> N :: 123.23(3.54) 1.G21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.84 L 0.09 C 0.02 R 0.01 C Shift Assignments>> C :: 174.094 CA :: 45.319 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.300 HA2 :: 3.894 HA3 :: 3.902 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.296 Ave N Shift Values>> N :: 109.67(3.87) 1.N22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.67 D 0.21 C 0.1 HN Overlap>> 1.Q107 1.Q107 C Shift Assignments>> C :: 174.941 CA :: 52.958 CB :: 38.819 CG :: 177.171 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 :: 8.169 HA :: 4.691 HB2 :: 2.742 HB3 :: 2.729 HD21 :: 6.861 HD22 :: 7.517 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 :: 118.222 ND2 :: 112.427 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.Q23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.49 C 0.3 E 0.2 C Shift Assignments>> C :: 173.877 CA :: 53.790 CB :: 28.834 CD :: 180.569 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 :: 8.194 HA :: 4.611 HB2 :: 1.942 HB3 :: 2.086 HG2 :: 2.359 HG3 :: 2.382 HE21 :: 6.806 HE22 :: 7.436 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 :: 121.022 NE2 :: 112.247 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.P24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.73 C 0.26 C Shift Assignments>> C :: 176.697 CA :: 63.086 CB :: 31.928 CG :: 27.007 CD :: 50.338 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 :: 4.244 HB2 :: 1.760 HB3 :: 2.138 HG2 :: 1.856 HG3 :: 1.878 HD2 :: 3.593 HD3 :: 3.601 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.M25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.48 C 0.33 Q 0.15 K 0.01 C Shift Assignments>> C :: 175.715 CA :: 55.381 CB :: 32.721 CG :: 31.993 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 :: 8.256 HA :: 4.283 HB2 :: 1.836 HB3 :: 1.824 HG2 :: 2.360 HG3 :: 2.384 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 :: 119.909 Ave N Shift Values>> N :: 120.09(3.57) 1.L26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.67 C 0.25 A 0.04 G 0.01 R 0.01 C Shift Assignments>> C :: 176.440 CA :: 54.684 CB :: 42.245 CG :: 26.625 CD1 :: 23.011 CD2 :: 24.547 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 :: 7.937 HA :: 4.245 HB2 :: 1.355 HB3 :: 1.339 HG :: 1.382 HD11 :: 0.751 HD12 :: 0.751 HD13 :: 0.751 HD21 :: 0.775 HD22 :: 0.775 HD23 :: 0.775 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 :: 122.923 Ave N Shift Values>> N :: 121.86(3.9) 1.W27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.65 C 0.34 C Shift Assignments>> C :: 174.108 CA :: 54.622 CB :: 29.095 CD1 :: 126.9 CE3 :: 120.6 CZ2 :: 114.7 CZ3 :: 122.1 CH2 :: 124.7 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 :: 7.890 HA :: 4.885 HB2 :: 3.012 HB3 :: 3.166 HD1 :: 7.143 HE1 :: 10.017 HE3 :: 7.11 HZ2 :: 7.410 HZ3 :: 7.055 HH2 :: 7.168 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 :: 121.901 NE1 :: 128.891 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.P28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> P 0.37 V 0.33 C 0.17 W 0.04 I 0.02 R 0.01 K 0.01 C Shift Assignments>> C :: 176.932 CA :: 62.723 CB :: 31.591 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) 1.A29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.7 M 0.26 C 0.02 HN Overlap>> 1.R81 1.R81 C Shift Assignments>> C :: 178.280 CA :: 53.799 CB :: 18.671 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.227 HA :: 4.120 HB1 :: 1.374 HB2 :: 1.374 HB3 :: 1.374 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.547 Ave N Shift Values>> N :: 123.23(3.54) 1.W30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.54 C 0.45 C Shift Assignments>> C :: 176.719 CA :: 57.687 CB :: 28.616 CD1 :: 126.9 CE3 :: 120.6 CZ2 :: 114.7 CZ3 :: 122.1 CH2 :: 124.7 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 :: 7.606 HA :: 4.612 HB2 :: 3.276 HB3 :: 3.345 HD1 :: 7.195 HE1 :: 10.186 HE3 :: 7.06 HZ2 :: 7.424 HZ3 :: 7.115 HH2 :: 7.249 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 :: 116.231 NE1 :: 129.938 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.V31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> P 0.4 V 0.36 C 0.15 W 0.03 I 0.01 C Shift Assignments>> C :: 175.990 CA :: 62.947 CB :: 31.886 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) 1.Y32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.63 C 0.36 HN Overlap>> 1.R87 1.R87 C Shift Assignments>> C :: 175.920 CA :: 58.107 CB :: 38.782 CD1 :: 133.1 CD2 :: 133.1 CE1 :: 117.9 CE2 :: 117.9 CZ :: 156.94 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 :: 7.727 HA :: 4.408 HB2 :: 2.870 HB3 :: 3.036 HD1 :: 7.136 HD2 :: 7.136 HE1 :: 6.822 HE2 :: 6.822 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 :: 120.895 Ave N Shift Values>> N :: 120.52(4.2) 1.C33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.18 R 0.14 W 0.13 I 0.12 Q 0.12 K 0.12 E 0.1 L 0.04 M 0.01 C Shift Assignments>> C :: 174.671 CA :: 58.637 CB :: 27.992 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.955 HA :: 4.509 HB2 :: 2.935 HB3 :: 2.937 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 :: 119.387 Ave N Shift Values>> N :: 120.17(4.64) 1.T34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.91 C 0.08 C Shift Assignments>> C :: 174.527 CA :: 62.284 CB :: 69.512 CG2 :: 21.319 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 :: 8.085 HA :: 4.167 HB :: 4.269 HG21 :: 1.133 HG22 :: 1.133 HG23 :: 1.133 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 :: 115.962 Ave N Shift Values>> N :: 115.42(4.75) 1.R35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.45 C 0.36 K 0.12 G 0.04 C Shift Assignments>> C :: 176.054 CA :: 56.234 CB :: 30.728 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 :: 8.086 HA :: 4.277 HB2 :: 1.622 HB3 :: 1.618 HD2 :: 3.012 HD3 :: 3.039 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 :: 122.539 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.Y36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.63 C 0.36 HN Overlap>> 1.L73 1.L73 C Shift Assignments>> C :: 176.034 CA :: 57.859 CB :: 38.771 CD1 :: 133.1 CD2 :: 133.1 CE1 :: 117.9 CE2 :: 117.9 CZ :: 156.94 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.126 HA :: 4.532 HB2 :: 2.877 HB3 :: 3.052 HD1 :: 7.128 HD2 :: 7.128 HE1 :: 6.806 HE2 :: 6.806 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 :: 120.769 Ave N Shift Values>> N :: 120.52(4.2) 1.S37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.018 CA :: 58.271 CB :: 63.871 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.045 HA :: 4.356 HB2 :: 3.790 HB3 :: 3.803 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 :: 116.198 Ave N Shift Values>> N :: 116.28(3.52) 1.D38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.33 L 0.21 N 0.13 F 0.09 K 0.08 Y 0.07 C 0.05 HN Overlap>> 1.K59 1.K59 C Shift Assignments>> C :: 175.761 CA :: 54.134 CB :: 40.992 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 :: 8.231 HA :: 4.576 HB2 :: 2.640 HB3 :: 2.650 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 121.914 Ave N Shift Values>> N :: 120.65(3.86) 1.R39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.18 Q 0.17 C 0.16 W 0.14 M 0.11 E 0.11 K 0.09 HN Overlap>> 1.V7 1.V7 C Shift Assignments>> C :: 174.200 CA :: 53.844 CB :: 30.124 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 :: 8.030 HA :: 4.597 HB2 :: 1.777 HB3 :: 1.813 HG2 :: 1.679 HG3 :: 1.704 HD2 :: 3.177 HD3 :: 3.168 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 :: 121.165 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.P40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.73 C 0.26 C Shift Assignments>> C :: 177.119 CA :: 63.107 CB :: 31.945 CG :: 27.068 CD :: 50.505 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 :: 4.402 HB2 :: 1.893 HB3 :: 2.255 HG2 :: 1.941 HG3 :: 1.956 HD2 :: 3.572 HD3 :: 3.721 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.S41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.669 CA :: 58.270 CB :: 63.758 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.406 HA :: 4.427 HB2 :: 3.868 HB3 :: 3.855 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 :: 115.860 Ave N Shift Values>> N :: 116.28(3.52) 1.S42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.533 CA :: 58.103 CB :: 63.994 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.242 HA :: 4.507 HB2 :: 3.861 HB3 :: 3.853 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 :: 117.121 Ave N Shift Values>> N :: 116.28(3.52) 1.G43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.59 L 0.2 R 0.08 C 0.04 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> C :: 172.028 CA :: 44.660 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.222 HA2 :: 4.105 HA3 :: 4.126 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.233 Ave N Shift Values>> N :: 109.67(3.87) 1.P44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.75 C 0.24 C Shift Assignments>> C :: 177.471 CA :: 63.357 CB :: 32.025 CG :: 26.934 CD :: 49.635 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 :: 4.394 HB2 :: 1.887 HB3 :: 2.250 HG2 :: 1.961 HG3 :: 1.969 HD2 :: 3.568 HD3 :: 3.586 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.R45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.48 C 0.37 K 0.08 G 0.05 HN Overlap>> 1.N19 1.N19 C Shift Assignments>> C :: 176.531 CA :: 56.159 CB :: 30.387 CG :: 27.507 CD :: 43.193 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 :: 8.475 HA :: 4.290 HB2 :: 1.844 HB3 :: 1.748 HG2 :: 1.615 HG3 :: 1.647 HD2 :: 3.144 HD3 :: 3.167 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 :: 120.557 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.S46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.441 CA :: 58.131 CB :: 63.871 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.164 HA :: 4.384 HB2 :: 3.828 HB3 :: 3.821 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 :: 116.214 Ave N Shift Values>> N :: 116.28(3.52) 1.R47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.46 C 0.36 K 0.11 G 0.05 HN Overlap>> 1.K115 1.R60 1.K115 1.R60 C Shift Assignments>> C :: 175.982 CA :: 55.844 CB :: 30.733 CG :: 26.300 CD :: 43.169 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 :: 8.303 HA :: 4.347 HB2 :: 1.704 HB3 :: 1.844 HG2 :: 1.589 HG3 :: 1.597 HD2 :: 3.145 HD3 :: 3.158 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 :: 122.928 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.K48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.26 C 0.18 K 0.17 R 0.14 Q 0.09 W 0.08 E 0.05 C Shift Assignments>> C :: 174.441 CA :: 54.099 CB :: 32.328 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 :: 8.293 HA :: 4.584 HB2 :: 1.795 HB3 :: 1.825 HG2 :: 1.477 HG3 :: 1.497 HD2 :: 1.714 HD3 :: 1.729 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 :: 123.843 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.P49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.71 C 0.28 C Shift Assignments>> C :: 176.796 CA :: 62.779 CB :: 32.086 CG :: 27.089 CD :: 50.654 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 :: 4.387 HB2 :: 1.844 HB3 :: 2.250 HG2 :: 1.980 HG3 :: 1.993 HD2 :: 3.596 HD3 :: 3.760 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.K50 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 HN Overlap>> 1.D58 1.D10 1.D12 1.D58 1.D10 1.D12 C Shift Assignments>> C :: 176.626 CA :: 56.128 CB :: 33.084 CG :: 24.471 CD :: 28.919 CE :: 41.957 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 :: 8.392 HA :: 4.200 HB2 :: 1.733 HB3 :: 1.744 HG2 :: 1.425 HG3 :: 1.441 HD2 :: 1.663 HD3 :: 1.669 HE2 :: 2.968 HE3 :: 2.978 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 :: 122.218 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.5 C 0.39 R 0.09 C Shift Assignments>> C :: 176.344 CA :: 56.052 CB :: 33.198 CG :: 24.420 CD :: 28.962 CE :: 41.895 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 :: 8.311 HA :: 4.247 HB2 :: 1.723 HB3 :: 1.735 HG2 :: 1.392 HG3 :: 1.379 HD2 :: 1.638 HD3 :: 1.653 HE2 :: 2.960 HE3 :: 2.974 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 :: 123.245 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.49 C 0.39 R 0.1 C Shift Assignments>> C :: 176.025 CA :: 56.051 CB :: 33.152 CG :: 24.433 CD :: 28.916 CE :: 41.928 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 :: 8.398 HA :: 4.237 HB2 :: 1.710 HB3 :: 1.722 HG2 :: 1.372 HG3 :: 1.361 HD2 :: 1.624 HD3 :: 1.637 HE2 :: 2.959 HE3 :: 2.971 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 :: 123.553 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.N53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.8 D 0.12 C 0.07 C Shift Assignments>> C :: 173.666 CA :: 51.109 CB :: 38.751 CG :: 177.025 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 :: 8.567 HA :: 4.972 HB2 :: 2.727 HB3 :: 2.864 HD21 :: 7.631 HD22 :: 6.977 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 :: 121.576 ND2 :: 112.960 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.P54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.75 C 0.24 C Shift Assignments>> C :: 176.704 CA :: 63.338 CB :: 32.043 CG :: 26.792 CD :: 50.704 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 :: 4.360 HB2 :: 1.926 HB3 :: 2.249 HG2 :: 1.971 HG3 :: 1.981 HD2 :: 3.744 HD3 :: 3.757 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.N55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.66 D 0.21 C 0.12 C Shift Assignments>> C :: 175.343 CA :: 53.222 CB :: 38.826 CG :: 177.071 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 :: 8.393 HA :: 4.649 HB2 :: 2.768 HB3 :: 2.756 HD21 :: 6.951 HD22 :: 7.616 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 118.460 ND2 :: 113.212 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.K56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.46 C 0.4 R 0.12 C Shift Assignments>> C :: 176.523 CA :: 56.454 CB :: 32.877 CG :: 24.396 CD :: 28.892 CE :: 41.972 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 :: 8.189 HA :: 4.246 HB2 :: 1.736 HB3 :: 1.799 HG2 :: 1.387 HG3 :: 1.406 HD2 :: 1.656 HD3 :: 1.638 HE2 :: 2.978 HE3 :: 2.963 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 :: 121.729 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.38 C 0.31 M 0.1 Q 0.09 K 0.08 I 0.02 C Shift Assignments>> C :: 176.156 CA :: 56.444 CB :: 30.191 CG :: 35.966 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 :: 4.285 HB2 :: 1.964 HB3 :: 2.084 HG2 :: 2.262 HG3 :: 2.275 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 :: 121.666 Ave N Shift Values>> N :: 120.67(3.48) 1.D58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 L 0.22 N 0.11 K 0.09 F 0.09 Y 0.07 C 0.05 R 0.01 HN Overlap>> 1.K50 1.K50 1.D12 1.D12 C Shift Assignments>> C :: 176.228 CA :: 54.285 CB :: 41.084 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 :: 8.309 HA :: 4.546 HB2 :: 2.602 HB3 :: 2.637 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 :: 122.147 Ave N Shift Values>> N :: 120.65(3.86) 1.K59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.22 K 0.2 C 0.17 R 0.12 Q 0.12 W 0.07 E 0.05 V 0.01 HN Overlap>> 1.D38 1.D38 C Shift Assignments>> C :: 176.450 CA :: 55.849 CB :: 32.587 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 :: 8.242 HA :: 4.333 HB2 :: 1.756 HB3 :: 1.894 HG2 :: 1.439 HG3 :: 1.449 HD2 :: 1.719 HD3 :: 1.730 HE2 :: 2.982 HE3 :: 2.967 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 :: 121.924 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.R60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.18 R 0.17 C 0.15 W 0.14 E 0.11 K 0.11 M 0.09 HN Overlap>> 1.R47 1.K115 1.L5 1.R47 1.K115 1.L5 C Shift Assignments>> C :: 174.301 CA :: 54.015 CB :: 29.901 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 :: 8.206 HA :: 4.578 HB2 :: 1.745 HB3 :: 1.724 HD2 :: 3.244 HD3 :: 3.236 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 :: 122.969 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.P61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.72 C 0.27 C Shift Assignments>> C :: 176.906 CA :: 62.928 CB :: 32.028 CG :: 27.112 CD :: 50.594 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 :: 4.398 HB2 :: 1.851 HB3 :: 2.258 HG2 :: 1.983 HG3 :: 2.003 HD2 :: 3.601 HD3 :: 3.764 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.R62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.47 C 0.37 K 0.1 G 0.05 C Shift Assignments>> C :: 176.536 CA :: 56.043 CB :: 30.746 CG :: 26.464 CD :: 43.180 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 :: 8.487 HA :: 4.328 HB2 :: 1.779 HB3 :: 1.808 HG2 :: 1.631 HG3 :: 1.611 HD2 :: 3.163 HD3 :: 3.186 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 :: 121.744 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.T63 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.S18 1.S18 C Shift Assignments>> C :: 173.686 CA :: 61.343 CB :: 69.734 CG2 :: 21.254 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 :: 8.114 HA :: 4.210 HB :: 4.064 HG21 :: 1.072 HG22 :: 1.072 HG23 :: 1.072 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 :: 115.424 Ave N Shift Values>> N :: 115.42(4.75) 1.A64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.91 M 0.06 C 0.01 C Shift Assignments>> C :: 177.147 CA :: 51.867 CB :: 19.433 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.137 HA :: 4.274 HB1 :: 1.216 HB2 :: 1.216 HB3 :: 1.216 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.851 Ave N Shift Values>> N :: 123.23(3.54) 1.F65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.22 F 0.19 L 0.17 Y 0.16 C 0.08 K 0.07 N 0.06 I 0.01 C Shift Assignments>> C :: 177.140 CA :: 56.002 CB :: 40.592 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 :: 8.023 HA :: 4.994 HB2 :: 2.759 HB3 :: 3.228 HD1 :: 7.068 HD2 :: 7.068 HE1 :: 7.127 HE2 :: 7.127 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 :: 119.110 Ave N Shift Values>> N :: 120.45(4.18) 1.T66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.84 C 0.15 C Shift Assignments>> C :: 175.285 CA :: 60.508 CB :: 70.917 CG2 :: 21.405 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 :: 8.943 HA :: 4.423 HB :: 4.742 HG21 :: 1.288 HG22 :: 1.288 HG23 :: 1.288 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 :: 113.232 Ave N Shift Values>> N :: 115.42(4.75) 1.A67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.64 A 0.26 I 0.05 C 0.02 C Shift Assignments>> C :: 180.757 CA :: 55.598 CB :: 17.782 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.971 HA :: 4.045 HB1 :: 1.442 HB2 :: 1.442 HB3 :: 1.442 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.560 Ave N Shift Values>> N :: 123.23(3.54) 1.E68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 E 0.28 I 0.26 K 0.05 Q 0.02 C Shift Assignments>> C :: 179.805 CA :: 59.903 CB :: 29.009 CG :: 36.438 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 :: 8.724 HA :: 3.978 HB2 :: 1.882 HB3 :: 2.040 HG2 :: 2.291 HG3 :: 2.314 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 :: 117.482 Ave N Shift Values>> N :: 120.67(3.48) 1.Q69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.61 Q 0.34 E 0.03 C Shift Assignments>> C :: 177.902 CA :: 58.863 CB :: 27.623 CG :: 34.478 CD :: 178.510 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 :: 7.724 HA :: 3.768 HB2 :: 1.424 HB3 :: 2.564 HG2 :: 2.274 HG3 :: 2.626 HE21 :: 6.701 HE22 :: 7.500 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 :: 119.390 NE2 :: 110.139 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.57 C 0.41 HN Overlap>> 1.S14 1.S14 C Shift Assignments>> C :: 178.708 CA :: 57.858 CB :: 41.702 CG :: 26.936 CD1 :: 23.907 CD2 :: 24.124 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 :: 8.354 HA :: 3.561 HB2 :: 1.506 HB3 :: 1.690 HG :: 1.548 HD11 :: 0.857 HD12 :: 0.857 HD13 :: 0.857 HD21 :: 0.877 HD22 :: 0.877 HD23 :: 0.877 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 :: 117.912 Ave N Shift Values>> N :: 121.86(3.9) 1.Q71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 Q 0.42 E 0.04 C Shift Assignments>> C :: 179.126 CA :: 58.977 CB :: 28.091 CG :: 33.459 CD :: 180.102 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 :: 8.123 HA :: 3.904 HB2 :: 2.111 HB3 :: 2.125 HG2 :: 2.428 HG3 :: 2.438 HE21 :: 6.838 HE22 :: 7.382 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 :: 117.776 NE2 :: 111.390 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.R72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 K 0.26 R 0.13 L 0.1 C Shift Assignments>> C :: 178.621 CA :: 57.454 CB :: 28.865 CG :: 26.913 CD :: 41.254 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 :: 7.449 HA :: 4.167 HB2 :: 1.820 HB3 :: 1.634 HG2 :: 1.394 HG3 :: 1.421 HD2 :: 3.089 HD3 :: 3.285 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 119.229 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.L73 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.73 L 0.25 HN Overlap>> 1.Y36 1.Y36 C Shift Assignments>> C :: 178.249 CA :: 58.268 CB :: 38.611 CG :: 25.829 CD1 :: 23.961 CD2 :: 22.458 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 :: 8.144 HA :: 3.592 HB2 :: -0.405(S) HB3 :: 0.692 HG :: 1.135 HD11 :: -0.564(S) HD12 :: -0.564(S) HD13 :: -0.564(S) HD21 :: 0.429 HD22 :: 0.429 HD23 :: 0.429 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 :: 120.789 Ave N Shift Values>> N :: 121.86(3.9) 1.K74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 K 0.31 R 0.14 C Shift Assignments>> C :: 179.376 CA :: 60.592 CB :: 32.423 CG :: 26.238 CD :: 29.714 CE :: 41.861 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 :: 8.236 HA :: 3.954 HB2 :: 1.885 HB3 :: 1.894 HG2 :: 1.674 HG3 :: 1.703 HD2 :: 1.439 HD3 :: 1.731 HE2 :: 2.923 HE3 :: 2.948 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 :: 117.691 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.53 A 0.4 I 0.03 C 0.02 C Shift Assignments>> C :: 181.123 CA :: 55.032 CB :: 18.041 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.730 HA :: 4.170 HB1 :: 1.533 HB2 :: 1.533 HB3 :: 1.533 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.000 Ave N Shift Values>> N :: 123.23(3.54) 1.E76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 E 0.29 I 0.14 K 0.12 Q 0.08 C Shift Assignments>> C :: 178.919 CA :: 58.884 CB :: 28.535 CG :: 35.758 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 :: 8.402 HA :: 4.066 HB2 :: 2.340 HB3 :: 2.323 HG2 :: 2.554 HG3 :: 2.571 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 :: 119.382 Ave N Shift Values>> N :: 120.67(3.48) 1.F77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.7 C 0.29 C Shift Assignments>> C :: 176.197 CA :: 60.812 CB :: 39.322 CG :: 138.99 CD1 :: 132.24 CD2 :: 132.24 CZ :: 128.93 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 :: 8.793 HA :: 4.288 HB2 :: 2.973 HB3 :: 3.126 HD1 :: 6.864 HD2 :: 6.864 HE1 :: 7.152 HE2 :: 7.152 HZ :: 6.834 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 :: 121.740 Ave N Shift Values>> N :: 120.45(4.18) 1.Q78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 Q 0.43 E 0.11 C Shift Assignments>> C :: 177.851 CA :: 57.874 CB :: 28.514 CG :: 33.921 CD :: 180.491 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 :: 7.787 HA :: 3.950 HB2 :: 2.217 HB3 :: 2.201 HG2 :: 2.542 HG3 :: 2.526 HE21 :: 6.880 HE22 :: 7.509 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 :: 114.649 NE2 :: 111.786 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.T79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.96 C 0.03 C Shift Assignments>> C :: 174.679 CA :: 64.958 CB :: 69.252 CG2 :: 21.358 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 :: 7.572 HA :: 4.058 HB :: 4.253 HG21 :: 1.243 HG22 :: 1.243 HG23 :: 1.243 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 :: 113.783 Ave N Shift Values>> N :: 115.42(4.75) 1.N80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.5 D 0.39 C 0.09 HN Overlap>> 1.I104 1.I104 C Shift Assignments>> C :: 173.630 CA :: 53.427 CB :: 39.815 CG :: 177.594 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 :: 8.164 HA :: 4.669 HB2 :: 2.879 HB3 :: 2.745 HD21 :: 6.972 HD22 :: 7.793 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 :: 119.041 ND2 :: 112.761 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.R81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.43 C 0.4 G 0.08 K 0.06 L 0.01 HN Overlap>> 1.A29 1.A29 C Shift Assignments>> C :: 174.677 CA :: 57.249 CB :: 30.089 CG :: 26.338 CD :: 43.527 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 :: 8.293 HA :: 3.718 HB2 :: 1.210 HB3 :: 1.344 HG2 :: 0.792 HG3 :: 1.109 HD2 :: 2.853 HD3 :: 2.877 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 :: 122.482 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.Y82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.71 C 0.28 C Shift Assignments>> C :: 175.051 CA :: 56.862 CB :: 40.128 CD1 :: 133.1 CD2 :: 133.1 CE1 :: 117.9 CE2 :: 117.9 CZ :: 156.94 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 :: 7.866 HA :: 4.572 HB2 :: 2.940 HB3 :: 2.769 HD1 :: 7.121 HD2 :: 7.121 HE1 :: 6.784 HE2 :: 6.784 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 :: 116.416 Ave N Shift Values>> N :: 120.52(4.2) 1.L83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.55 G 0.21 C 0.17 A 0.03 R 0.01 C Shift Assignments>> C :: 177.456 CA :: 53.583 CB :: 43.766 CG :: 25.726 CD1 :: 23.609 CD2 :: 25.380 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 :: 8.338 HA :: 4.408 HB2 :: 1.281 HB3 :: 1.269 HG :: 0.860 HD11 :: 0.239 HD12 :: 0.239 HD13 :: 0.239 HD21 :: 0.388 HD22 :: 0.388 HD23 :: 0.388 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 :: 123.357 Ave N Shift Values>> N :: 121.86(3.9) 1.T84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.81 C 0.18 C Shift Assignments>> C :: 175.148 CA :: 60.308 CB :: 71.070 CG2 :: 21.795 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 :: 7.532 HA :: 4.394 HB :: 4.696 HG21 :: 1.328 HG22 :: 1.328 HG23 :: 1.328 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 :: 113.349 Ave N Shift Values>> N :: 115.42(4.75) 1.E85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 E 0.27 I 0.21 K 0.07 Q 0.04 C Shift Assignments>> C :: 178.483 CA :: 60.215 CB :: 29.131 CG :: 35.884 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.002 HA :: 3.787 HB2 :: 2.014 HB3 :: 2.025 HG2 :: 2.250 HG3 :: 2.263 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 :: 121.935 Ave N Shift Values>> N :: 120.67(3.48) 1.Q86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 Q 0.36 E 0.08 C Shift Assignments>> C :: 178.807 CA :: 59.266 CB :: 27.912 CG :: 33.940 CD :: 180.618 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 :: 8.472 HA :: 4.013 HB2 :: 2.027 HB3 :: 1.995 HG2 :: 2.420 HG3 :: 2.440 HE21 :: 6.872 HE22 :: 7.526 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 :: 116.808 NE2 :: 112.429 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.R87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.44 C 0.42 K 0.08 G 0.03 HN Overlap>> 1.Y32 1.Y32 C Shift Assignments>> C :: 178.063 CA :: 58.081 CB :: 30.024 CG :: 26.939 CD :: 42.913 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 :: 7.788 HA :: 4.117 HB2 :: 1.760 HB3 :: 1.781 HG2 :: 1.595 HG3 :: 1.603 HD2 :: 3.114 HD3 :: 3.320 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 :: 120.962 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.R88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 R 0.35 G 0.07 K 0.05 C Shift Assignments>> C :: 177.642 CA :: 60.469 CB :: 30.082 CG :: 28.045 CD :: 43.245 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 :: 8.503 HA :: 3.654 HB2 :: 1.720 HB3 :: 1.968 HG2 :: 1.483 HG3 :: 1.464 HD2 :: 3.265 HD3 :: 3.280 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 119.645 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.Q89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 Q 0.41 E 0.06 C Shift Assignments>> C :: 178.843 CA :: 59.177 CB :: 28.184 CG :: 33.726 CD :: 180.175 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 :: 7.991 HA :: 3.934 HB2 :: 2.170 HB3 :: 2.098 HG2 :: 2.552 HG3 :: 2.366 HE21 :: 7.570 HE22 :: 6.713 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 :: 116.783 NE2 :: 110.934 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.S90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.395 CA :: 61.575 CB :: 62.478 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.106 HA :: 4.220 HB2 :: 3.961 HB3 :: 3.969 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 :: 115.724 Ave N Shift Values>> N :: 116.28(3.52) 1.L91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.59 C 0.37 G 0.01 R 0.01 C Shift Assignments>> C :: 178.341 CA :: 57.555 CB :: 42.466 CG :: 26.586 CD1 :: 24.060 CD2 :: 24.257 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 :: 8.599 HA :: 4.033 HB2 :: 1.694 HB3 :: 1.351 HG :: 1.612 HD11 :: 0.737 HD12 :: 0.737 HD13 :: 0.737 HD21 :: 0.748 HD22 :: 0.748 HD23 :: 0.748 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 :: 123.082 Ave N Shift Values>> N :: 121.86(3.9) 1.A92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.67 A 0.18 I 0.09 C 0.03 C Shift Assignments>> C :: 179.933 CA :: 56.220 CB :: 17.830 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.052 HA :: 3.735 HB1 :: 1.478 HB2 :: 1.478 HB3 :: 1.478 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.298 Ave N Shift Values>> N :: 123.23(3.54) 1.Q93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 Q 0.42 E 0.07 C Shift Assignments>> C :: 178.974 CA :: 58.460 CB :: 28.307 CG :: 33.623 CD :: 180.538 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 :: 7.689 HA :: 4.054 HB2 :: 2.188 HB3 :: 2.207 HG2 :: 2.432 HG3 :: 2.510 HE21 :: 6.805 HE22 :: 7.451 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 :: 116.126 NE2 :: 111.594 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.E94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 E 0.34 K 0.08 Q 0.08 I 0.07 M 0.04 C Shift Assignments>> C :: 178.706 CA :: 59.100 CB :: 29.997 CG :: 35.687 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 :: 8.317 HA :: 3.972 HB2 :: 2.009 HB3 :: 2.130 HG2 :: 2.435 HG3 :: 2.444 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 :: 119.586 Ave N Shift Values>> N :: 120.67(3.48) 1.L95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.51 C 0.26 R 0.08 A 0.07 G 0.06 C Shift Assignments>> C :: 177.477 CA :: 54.786 CB :: 43.068 CG :: 26.967 CD1 :: 22.625 CD2 :: 25.392 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 :: 8.201 HA :: 4.347 HB2 :: 1.662 HB3 :: 1.397 HG :: 1.825 HD11 :: 0.697 HD12 :: 0.697 HD13 :: 0.697 HD21 :: 0.675 HD22 :: 0.675 HD23 :: 0.675 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 :: 113.871 Ave N Shift Values>> N :: 121.86(3.9) 1.G96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.05 C 0.05 C Shift Assignments>> C :: 174.660 CA :: 46.676 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.882 HA2 :: 3.931 HA3 :: 3.952 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.847 Ave N Shift Values>> N :: 109.67(3.87) 1.L97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.55 C 0.19 A 0.14 L 0.1 C Shift Assignments>> C :: 175.405 CA :: 52.311 CB :: 46.691 CG :: 26.057 CD1 :: 23.020 CD2 :: 25.873 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 :: 7.767 HA :: 4.725 HB2 :: 1.469 HB3 :: 1.219 HG :: 1.404 HD11 :: 0.459 HD12 :: 0.459 HD13 :: 0.459 HD21 :: 0.821 HD22 :: 0.821 HD23 :: 0.821 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.135 Ave N Shift Values>> N :: 121.86(3.9) 1.N98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.69 D 0.22 C 0.08 C Shift Assignments>> C :: 177.279 CA :: 52.512 CB :: 39.812 CG :: 176.461 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 :: 8.582 HA :: 4.873 HB2 :: 2.937 HB3 :: 2.802 HD21 :: 7.100 HD22 :: 7.670 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 :: 116.959 ND2 :: 114.096 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.E99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 I 0.35 E 0.19 K 0.01 C Shift Assignments>> C :: 178.393 CA :: 60.921 CB :: 29.685 CG :: 37.018 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 :: 9.306 HA :: 3.681 HB2 :: 2.013 HB3 :: 2.001 HG2 :: 2.169 HG3 :: 2.374 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 :: 123.039 Ave N Shift Values>> N :: 120.67(3.48) 1.S100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.544 CA :: 62.203 CB :: 61.931 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.666 HA :: 4.173 HB2 :: 4.018 HB3 :: 4.035 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 :: 115.225 Ave N Shift Values>> N :: 116.28(3.52) 1.Q101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 Q 0.32 E 0.18 C Shift Assignments>> C :: 179.380 CA :: 58.698 CB :: 29.686 CG :: 35.126 CD :: 179.144 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 :: 7.780 HA :: 4.174 HB2 :: 2.141 HB3 :: 2.478 HG2 :: 2.492 HG3 :: 2.511 HE21 :: 6.890 HE22 :: 7.386 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 :: 119.657 NE2 :: 112.380 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.I102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.86 C 0.13 C Shift Assignments>> C :: 177.152 CA :: 64.814 CB :: 37.493 CG1 :: 28.404 CG2 :: 18.346 CD1 :: 12.442 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 :: 7.375 HA :: 3.804 HB :: 2.001 HG12 :: 1.674 HG13 :: 1.933 HG21 :: 0.928 HG22 :: 0.928 HG23 :: 0.928 HD11 :: 0.718 HD12 :: 0.718 HD13 :: 0.718 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 118.458 Ave N Shift Values>> N :: 121.46(4.28) 1.K103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 K 0.46 R 0.02 C Shift Assignments>> C :: 179.516 CA :: 60.126 CB :: 32.941 CG :: 24.681 CD :: 29.493 CE :: 41.756 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 :: 8.263 HA :: 4.129 HB2 :: 2.038 HB3 :: 1.876 HG2 :: 1.381 HG3 :: 1.399 HD2 :: 1.661 HD3 :: 1.640 HE2 :: 2.934 HE3 :: 2.922 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 :: 120.143 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.82 C 0.17 HN Overlap>> 1.N80 1.N80 C Shift Assignments>> C :: 177.395 CA :: 64.327 CB :: 37.995 CG1 :: 29.359 CG2 :: 17.313 CD1 :: 12.455 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 :: 8.251 HA :: 3.828 HB :: 1.964 HG12 :: 1.264 HG13 :: 1.737 HG21 :: 0.984 HG22 :: 0.984 HG23 :: 0.984 HD11 :: 0.960 HD12 :: 0.960 HD13 :: 0.960 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 :: 119.084 Ave N Shift Values>> N :: 121.46(4.28) 1.W105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.59 C 0.4 C Shift Assignments>> C :: 179.486 CA :: 63.141 CB :: 29.070 CD1 :: 127.1 CE3 :: 120.8 CZ2 :: 113.7 CZ3 :: 120.7 CH2 :: 122.8 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 :: 8.072 HA :: 4.084 HB2 :: 3.431 HB3 :: 3.532 HD1 :: 7.061 HE1 :: 9.571 HE3 :: 7.082 HZ2 :: 7.055 HZ3 :: 5.982 HH2 :: 6.379 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 :: 122.059 NE1 :: 128.47 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.F106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 F 0.48 C Shift Assignments>> C :: 178.101 CA :: 62.882 CB :: 39.643 CG :: 142.66 CD1 :: 132.31 CD2 :: 132.31 CE1 :: 132.31 CE2 :: 132.31 CZ :: 129.17 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 :: 8.762 HA :: 3.769 HB2 :: 3.197 HB3 :: 3.544 HD1 :: 7.850 HD2 :: 7.850 HE1 :: 7.503 HE2 :: 7.503 HZ :: 7.231 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 :: 118.077 Ave N Shift Values>> N :: 120.45(4.18) 1.Q107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 Q 0.41 E 0.07 HN Overlap>> 1.N22 1.N22 C Shift Assignments>> C :: 179.007 CA :: 59.327 CB :: 28.590 CG :: 33.807 CD :: 180.097 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 :: 8.266 HA :: 3.934 HB2 :: 2.145 HB3 :: 2.252 HG2 :: 2.502 HG3 :: 2.458 HE21 :: 7.539 HE22 :: 6.880 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 :: 118.216 NE2 :: 111.176 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.N108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.56 C 0.37 D 0.05 C Shift Assignments>> C :: 177.491 CA :: 55.248 CB :: 37.720 CG :: 175.981 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 :: 8.497 HA :: 4.325 HB2 :: 2.705 HB3 :: 2.534 HD21 :: 7.484 HD22 :: 6.830 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 :: 118.615 ND2 :: 112.037 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.K109 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.61 R 0.31 K 0.03 A 0.02 C Shift Assignments>> C :: 179.029 CA :: 57.091 CB :: 30.671 CG :: 22.017 CD :: 26.992 CE :: 41.496 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 :: 7.664 HA :: 3.487 HB2 :: 0.559(S) HB3 :: 0.373(S) HG2 :: -0.438(S) HG3 :: -0.407(S) HD2 :: -0.310(S) HD3 :: -0.283(S) HE2 :: 2.141(S) HE3 :: 2.129(S) 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 :: 121.118 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.R110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 R 0.19 K 0.15 G 0.08 C Shift Assignments>> C :: 177.970 CA :: 59.481 CB :: 31.149 CG :: 29.402 CD :: 43.334 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 :: 7.962 HA :: 4.069 HB2 :: 2.026 HB3 :: 1.842 HG2 :: 1.448 HG3 :: 1.419 HD2 :: 2.832 HD3 :: 2.945 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 :: 117.576 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.A111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.71 M 0.25 C 0.01 C Shift Assignments>> C :: 178.481 CA :: 53.608 CB :: 18.592 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.555 HA :: 4.167 HB1 :: 1.441 HB2 :: 1.441 HB3 :: 1.441 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.374 Ave N Shift Values>> N :: 123.23(3.54) 1.K112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.44 C 0.39 R 0.15 C Shift Assignments>> C :: 177.145 CA :: 56.582 CB :: 32.552 CG :: 24.469 CD :: 28.741 CE :: 41.966 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 :: 7.535 HA :: 4.161 HB2 :: 1.776 HB3 :: 1.744 HG2 :: 1.392 HG3 :: 1.402 HD2 :: 1.547 HD3 :: 1.568 HE2 :: 2.880 HE3 :: 2.868 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 :: 117.594 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 0.68 C 0.3 C Shift Assignments>> C :: 176.263 CA :: 61.387 CB :: 38.259 CG1 :: 27.292 CG2 :: 17.159 CD1 :: 12.741 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 :: 7.655 HA :: 4.060 HB :: 1.896 HG12 :: 1.518 HG13 :: 1.255 HG21 :: 0.913 HG22 :: 0.913 HG23 :: 0.913 HD11 :: 0.877 HD12 :: 0.877 HD13 :: 0.877 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 :: 120.039 Ave N Shift Values>> N :: 121.46(4.28) 1.K114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.46 C 0.39 R 0.13 C Shift Assignments>> C :: 176.412 CA :: 56.392 CB :: 32.903 CG :: 24.397 CD :: 28.814 CE :: 41.996 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 :: 8.118 HA :: 4.275 HB2 :: 1.795 HB3 :: 1.710 HG2 :: 1.414 HG3 :: 1.402 HD2 :: 1.649 HD3 :: 1.665 HE2 :: 2.978 HE3 :: 2.957 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 :: 125.167 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.48 C 0.4 R 0.1 HN Overlap>> 1.R47 1.R47 1.L5 1.R60 1.L5 1.R60 C Shift Assignments>> C :: 176.033 CA :: 56.234 CB :: 33.080 CG :: 24.447 CD :: 28.958 CE :: 41.946 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 :: 8.208 HA :: 4.270 HB2 :: 1.780 HB3 :: 1.803 HG2 :: 1.436 HG3 :: 1.448 HD2 :: 1.634 HD3 :: 1.650 HE2 :: 2.972 HE3 :: 2.958 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 :: 122.970 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.87 M 0.09 C 0.01 C Shift Assignments>> C :: 177.042 CA :: 52.533 CB :: 19.276 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.320 HA :: 4.366 HB1 :: 1.397 HB2 :: 1.397 HB3 :: 1.397 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.273 Ave N Shift Values>> N :: 123.23(3.54) 1.T117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 179.278 CA :: 62.968 CB :: 70.709 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 :: 7.679 HA :: 4.165 HG21 :: 1.248 HG22 :: 1.248 HG23 :: 1.248 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 118.410 Ave N Shift Values>> N :: 115.42(4.75) ########################################################################### Overall Results: #Consistent: 115 #Clerical: 0 #Suspicious: 2 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 116 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 1 Shift Relative Order (SRO) Results: #Consistent: 117 #Suspicious: 0 C Shift Results: #Consistent: 520 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 780 #Duplicate: 0 #Unknown: 0 #Suspicious: 12 #Anomalous: 0 N Shift Results: #Consistent: 127 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.L73 HB2 = -0.405(S), Expected = 1.61, Std = 0.3400, ChiSquare = 3.0951e-09 1.L73 HD11 = -0.564(S), Expected = 0.75, Std = 0.2800, ChiSquare = 2.6942e-06 1.L73 HD12 = -0.564(S), Expected = 0.75, Std = 0.2800, ChiSquare = 2.6942e-06 1.L73 HD13 = -0.564(S), Expected = 0.75, Std = 0.2800, ChiSquare = 2.6942e-06 1.K109 HB2 = 0.559(S), Expected = 1.78, Std = 0.2500, ChiSquare = 1.0396e-06 1.K109 HB3 = 0.373(S), Expected = 1.74, Std = 0.2700, ChiSquare = 4.1279e-07 1.K109 HG2 = -0.438(S), Expected = 1.37, Std = 0.2600, ChiSquare = 3.5546e-12 1.K109 HG3 = -0.407(S), Expected = 1.35, Std = 0.2800, ChiSquare = 3.4963e-10 1.K109 HD2 = -0.310(S), Expected = 1.61, Std = 0.2200, ChiSquare = 2.6089e-18 1.K109 HD3 = -0.283(S), Expected = 1.60, Std = 0.2200, ChiSquare = 1.1376e-17 1.K109 HE2 = 2.141(S), Expected = 2.92, Std = 0.1900, ChiSquare = 4.1315e-05 1.K109 HE3 = 2.129(S), Expected = 2.91, Std = 0.2000, ChiSquare = 9.4225e-05