Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable C Shift Assignments>> C :: 174.675 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> HA :: 4.567 HB3 :: 3.901 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.S3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.012 CA :: 58.429 CB :: 63.812 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.456 HA :: 4.507 HB2 :: 3.883 HB3 :: 3.883 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 :: 117.658 Ave N Shift Values>> N :: 116.28(3.52) 1.G4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.08 C 0.02 C Shift Assignments>> C :: 174.236 CA :: 45.533 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.334 HA2 :: 3.991 HA3 :: 3.991 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.603 Ave N Shift Values>> N :: 109.67(3.87) 1.E5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.43 C 0.37 Q 0.08 K 0.07 I 0.02 C Shift Assignments>> C :: 177.054 CA :: 56.870 CB :: 30.316 CG :: 36.081 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 :: 8.230 HA :: 4.310 HB2 :: 2.078 HB3 :: 1.944 HG2 :: 2.255 HG3 :: 2.255 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 :: 120.561 Ave N Shift Values>> N :: 120.67(3.48) 1.G6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.4 L 0.29 G 0.08 D 0.06 F 0.05 C 0.03 K 0.03 Y 0.03 C Shift Assignments>> C :: 174.002 CA :: 43.433 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.393 HA2 :: 3.917 HA3 :: 3.917 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.574 Ave N Shift Values>> N :: 109.67(3.87) 1.Q7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.43 C 0.33 Q 0.11 K 0.09 I 0.01 HN Overlap>> 1.R57 1.R57 C Shift Assignments>> C :: 175.720 CA :: 55.774 CB :: 30.190 CG :: 35.892 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 :: 8.134 HA :: 4.311 HB2 :: 2.066 HB3 :: 2.205 HG2 :: 2.224 HG3 :: 2.224 HE21 :: 8.171 HE22 :: 7.742 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 :: 119.914 NE2 :: 115.461 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.K8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.47 C 0.39 R 0.11 HN Overlap>> 1.L15 1.L15 C Shift Assignments>> C :: 175.929 CA :: 56.285 CB :: 33.419 CG :: 24.413 CD :: 28.819 CE :: 42.110 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 :: 8.177 HA :: 4.354 HB2 :: 1.792 HB3 :: 1.719 HG2 :: 1.391 HG3 :: 1.391 HD2 :: 1.635 HD3 :: 1.635 HE2 :: 2.958 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 :: 121.844 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 L 0.18 N 0.16 F 0.11 Y 0.08 C 0.06 K 0.04 C Shift Assignments>> C :: 175.487 CA :: 54.308 CB :: 40.590 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 :: 8.260 HA :: 4.599 HB2 :: 2.665 HB3 :: 2.521 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 :: 121.099 Ave N Shift Values>> N :: 120.65(3.86) 1.L10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.56 C 0.21 G 0.14 R 0.06 A 0.01 HN Overlap>> 1.A58 1.A58 C Shift Assignments>> C :: 177.426 CA :: 54.589 CB :: 43.783 CG :: 27.071 CD1 :: 25.407 CD2 :: 23.834 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 :: 7.886 HA :: 4.372 HB2 :: 1.500 HB3 :: 1.500 HG :: 1.604 HD11 :: 0.809 HD12 :: 0.809 HD13 :: 0.809 HD21 :: 0.795 HD22 :: 0.795 HD23 :: 0.795 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 :: 122.271 Ave N Shift Values>> N :: 121.86(3.9) 1.K11 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.48 C 0.37 R 0.13 HN Overlap>> 1.A118 1.A118 C Shift Assignments>> C :: 176.881 CA :: 55.945 CB :: 33.235 CG :: 25.266 CD :: 28.440 CE :: 41.890 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 :: 8.563 HA :: 4.051 HB2 :: 1.284 HB3 :: 1.140 HG2 :: 1.267 HG3 :: 1.267 HD2 :: 0.905 HD3 :: 0.860(S) HE2 :: 2.735 HE3 :: 2.735 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 :: 122.871 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.59 L 0.31 G 0.06 K 0.01 C Shift Assignments>> C :: 178.422 CA :: 58.681 CB :: 42.916 CG :: 26.741 CD1 :: 22.249 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 :: 9.494 HA :: 3.748 HB2 :: 1.690 HB3 :: 1.690 HG :: 1.754 HD11 :: 0.644 HD12 :: 0.644 HD13 :: 0.644 HD21 :: 0.644 HD22 :: 0.644 HD23 :: 0.644 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 :: 122.245 Ave N Shift Values>> N :: 121.86(3.9) 1.G13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.5 G 0.17 A 0.15 C 0.06 N 0.05 D 0.01 HN Overlap>> 1.G42 1.G42 C Shift Assignments>> C :: 175.199 CA :: 48.454 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 10.050 HA2 :: 4.268 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 :: 107.306 Ave N Shift Values>> N :: 109.67(3.87) 1.E14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.38 C 0.37 I 0.09 K 0.08 Q 0.05 C Shift Assignments>> C :: 179.222 CA :: 58.712 CB :: 29.773 CG :: 36.072 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 :: 6.936 HA :: 3.960 HB2 :: 1.992 HB3 :: 1.992 HG2 :: 2.347 HG3 :: 2.347 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 :: 120.505 Ave N Shift Values>> N :: 120.67(3.48) 1.L15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 L 0.32 K 0.26 R 0.06 G 0.01 HN Overlap>> 1.K8 1.K8 C Shift Assignments>> C :: 178.750 CA :: 58.485 CB :: 42.365 CG :: 27.424 CD1 :: 25.311 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 :: 8.132 HA :: 3.920 HB2 :: 1.628 HB3 :: 1.628 HG :: 1.420 HD11 :: 0.784 HD12 :: 0.784 HD13 :: 0.784 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 :: 121.868 Ave N Shift Values>> N :: 121.86(3.9) 1.L16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.55 C 0.38 G 0.02 R 0.02 HN Overlap>> 1.E28 1.E28 C Shift Assignments>> C :: 179.483 CA :: 58.159 CB :: 42.624 CG :: 26.791 CD1 :: 24.592 CD2 :: 23.771 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 :: 8.234 HA :: 3.780 HB2 :: 2.090 HB3 :: 1.236 HG :: 1.813 HD11 :: 0.901 HD12 :: 0.901 HD13 :: 0.901 HD21 :: 0.651 HD22 :: 0.651 HD23 :: 0.651 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 :: 117.680 Ave N Shift Values>> N :: 121.86(3.9) 1.L17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.41 C 0.32 K 0.22 R 0.02 G 0.01 HN Overlap>> 1.F139 1.F139 C Shift Assignments>> C :: 181.059 CA :: 57.973 CB :: 42.411 CG :: 27.066 CD2 :: 24.762 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 :: 8.492 HA :: 4.144 HB2 :: 1.846 HB3 :: 1.651 HG :: 1.425 HD11 :: 0.804 HD12 :: 0.804 HD13 :: 0.804 HD21 :: 0.804 HD22 :: 0.804 HD23 :: 0.804 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 :: 120.830 Ave N Shift Values>> N :: 121.86(3.9) 1.Q18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 Q 0.27 K 0.22 E 0.1 I 0.01 R 0.01 C Shift Assignments>> C :: 178.412 CA :: 58.949 CB :: 29.820 CG :: 33.939 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 :: 8.204 HA :: 3.977 HB2 :: 1.981 HB3 :: 1.981 HG2 :: 2.366 HG3 :: 2.366 HE21 :: 7.279 HE22 :: 6.954 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 :: 120.952 NE2 :: 112.651 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.K19 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.43 C 0.38 R 0.17 HN Overlap>> 1.K36 1.K36 C Shift Assignments>> C :: 176.647 CA :: 56.226 CB :: 32.396 CG :: 24.319 CD :: 27.893 CE :: 41.636 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 :: 7.389 HA :: 3.889 HB2 :: 0.932(S) HB3 :: 0.572(S) HG2 :: 1.122 HG3 :: 1.122 HD2 :: 0.762(S) HD3 :: 0.762(S) HE2 :: 2.440 HE3 :: 2.440 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 :: 115.194 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.82 L 0.1 C 0.02 R 0.01 F 0.01 C Shift Assignments>> C :: 175.605 CA :: 45.247 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.752 HA2 :: 3.926 HA3 :: 3.926 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.719 Ave N Shift Values>> N :: 109.67(3.87) 1.W21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.53 C 0.46 C Shift Assignments>> C :: 175.283 CA :: 56.484 CB :: 30.996 CD1 :: 125.088 CE3 :: 120.183 CZ2 :: 114.846 CZ3 :: 122.140 CH2 :: 124.158 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 :: 7.822 HA :: 4.788 HB2 :: 3.240 HB3 :: 2.939 HD1 :: 6.865 HE1 :: 10.110 HE3 :: 7.337 HZ2 :: 7.531 HZ3 :: 7.174 HH2 :: 7.116 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 :: 118.634 NE1 :: 128.384 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.I22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.75 I 0.12 G 0.06 A 0.06 C Shift Assignments>> C :: 173.107 CA :: 58.172 CB :: 42.587 CG1 :: 25.234 CG2 :: 18.604 CD1 :: 15.534 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 :: 7.202 HA :: 4.747 HB :: 1.843 HG12 :: 1.408 HG13 :: 1.408 HG21 :: 0.874 HG22 :: 0.874 HG23 :: 0.874 HD11 :: 0.874 HD12 :: 0.874 HD13 :: 0.874 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 :: 109.408 Ave N Shift Values>> N :: 121.46(4.28) 1.S23 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 :: 174.988 CA :: 56.033 CB :: 65.972 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.794 HA :: 4.721 HB2 :: 4.413 HB3 :: 3.992 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 :: 115.978 Ave N Shift Values>> N :: 116.28(3.52) 1.R24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 R 0.41 G 0.04 K 0.04 C Shift Assignments>> C :: 178.239 CA :: 59.775 CB :: 29.276 CG :: 27.543 CD :: 42.937 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 :: 8.944 HA :: 3.857 HB2 :: 1.851 HB3 :: 1.851 HG2 :: 1.701 HG3 :: 1.701 HD2 :: 3.241 HD3 :: 3.241 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 :: 121.716 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.E25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.4 C 0.36 E 0.19 K 0.02 C Shift Assignments>> C :: 178.650 CA :: 60.371 CB :: 28.712 CG :: 36.933 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 :: 8.923 HA :: 3.999 HB2 :: 2.050 HB3 :: 1.952 HG2 :: 2.273 HG3 :: 2.453 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 :: 118.570 Ave N Shift Values>> N :: 120.67(3.48) 1.A26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.89 C 0.04 I 0.04 C Shift Assignments>> C :: 180.516 CA :: 54.764 CB :: 18.421 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.797 HA :: 4.108 HB1 :: 1.464 HB2 :: 1.464 HB3 :: 1.464 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.490 Ave N Shift Values>> N :: 123.23(3.54) 1.L27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 L 0.48 R 0.01 C Shift Assignments>> C :: 177.737 CA :: 58.033 CB :: 41.109 CG :: 27.061 CD1 :: 23.582 CD2 :: 25.814 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 :: 7.797 HA :: 3.901 HB2 :: 2.126 HB3 :: 1.434 HG :: 1.494 HD11 :: 0.729 HD12 :: 0.729 HD13 :: 0.729 HD21 :: 0.871 HD22 :: 0.871 HD23 :: 0.871 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 :: 119.032 Ave N Shift Values>> N :: 121.86(3.9) 1.E28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 K 0.25 Q 0.22 E 0.05 R 0.03 I 0.03 HN Overlap>> 1.L16 1.L16 C Shift Assignments>> C :: 179.558 CA :: 59.878 CB :: 28.958 CG :: 33.745 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 :: 8.291 HA :: 3.904 HB2 :: 2.088 HB3 :: 2.088 HG2 :: 2.306 HG3 :: 2.306 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 :: 117.680 Ave N Shift Values>> N :: 120.67(3.48) 1.E29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 E 0.37 I 0.12 K 0.06 Q 0.04 C Shift Assignments>> C :: 179.552 CA :: 59.136 CB :: 29.740 CG :: 36.209 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 :: 8.022 HA :: 3.991 HB2 :: 2.147 HB3 :: 1.969 HG2 :: 2.515 HG3 :: 2.515 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 :: 117.624 Ave N Shift Values>> N :: 120.67(3.48) 1.A30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.87 C 0.06 I 0.03 L 0.01 V 0.01 C Shift Assignments>> C :: 178.928 CA :: 54.918 CB :: 19.056 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.135 HA :: 4.012 HB1 :: 1.386 HB2 :: 1.386 HB3 :: 1.386 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.823 Ave N Shift Values>> N :: 123.23(3.54) 1.L31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 L 0.44 C Shift Assignments>> C :: 180.297 CA :: 57.916 CB :: 41.054 CG :: 26.561 CD1 :: 22.510 CD2 :: 25.432 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 :: 8.293 HA :: 3.876 HB2 :: 1.926 HB3 :: 1.441 HG :: 1.529 HD11 :: 0.445 HD12 :: 0.445 HD13 :: 0.445 HD21 :: 0.646 HD22 :: 0.646 HD23 :: 0.646 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 :: 119.063 Ave N Shift Values>> N :: 121.86(3.9) 1.V32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.9 C 0.09 C Shift Assignments>> C :: 178.868 CA :: 66.475 CB :: 31.626 CG1 :: 21.138 CG2 :: 23.006 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 :: 7.740 HA :: 3.782 HB :: 2.173 HG11 :: 0.967 HG12 :: 0.967 HG13 :: 0.967 HG21 :: 1.095 HG22 :: 1.095 HG23 :: 1.095 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 :: 121.179 Ave N Shift Values>> N :: 121.14(4.54) 1.E33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 E 0.31 I 0.2 K 0.07 Q 0.03 C Shift Assignments>> C :: 179.568 CA :: 59.618 CB :: 29.129 CG :: 36.208 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 :: 7.869 HA :: 4.076 HB2 :: 2.185 HB3 :: 2.185 HG2 :: 2.351 HG3 :: 2.351 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 :: 121.372 Ave N Shift Values>> N :: 120.67(3.48) 1.Q34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 K 0.19 Q 0.19 E 0.14 I 0.06 R 0.01 C Shift Assignments>> C :: 178.160 CA :: 59.811 CB :: 29.249 CG :: 34.486 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 :: 8.715 HA :: 3.833 HB2 :: 2.339 HB3 :: 1.849 HG2 :: 2.534 HG3 :: 2.534 HE21 :: 7.521 HE22 :: 6.688 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 :: 120.830 NE2 :: 111.340 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.E35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 E 0.29 I 0.22 K 0.08 Q 0.04 C Shift Assignments>> C :: 177.850 CA :: 59.495 CB :: 28.633 CG :: 36.114 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 :: 7.761 HA :: 4.025 HB2 :: 2.276 HB3 :: 2.184 HG2 :: 2.583 HG3 :: 2.583 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 :: 120.090 Ave N Shift Values>> N :: 120.67(3.48) 1.K36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.45 C 0.45 R 0.08 HN Overlap>> 1.K19 1.K19 C Shift Assignments>> C :: 178.472 CA :: 58.080 CB :: 33.459 CG :: 24.951 CD :: 29.089 CE :: 42.104 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 :: 7.403 HA :: 4.308 HB2 :: 1.998 HB3 :: 2.043 HG2 :: 1.615 HG3 :: 1.467 HD2 :: 1.688 HD3 :: 1.688 HE2 :: 2.961 HE3 :: 2.961 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 :: 115.183 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.T37 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 :: 176.665 CA :: 62.500 CB :: 71.585 CG2 :: 21.624 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 :: 8.190 HA :: 4.454 HB :: 4.269 HG21 :: 1.277 HG22 :: 1.277 HG23 :: 1.277 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 :: 107.206 Ave N Shift Values>> N :: 115.42(4.75) 1.G38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.08 C 0.02 C Shift Assignments>> C :: 173.912 CA :: 45.583 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.074 HA2 :: 4.091 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 :: 112.107 Ave N Shift Values>> N :: 109.67(3.87) 1.D39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.29 L 0.26 K 0.14 F 0.06 N 0.06 R 0.05 C 0.04 Y 0.04 C Shift Assignments>> C :: 175.540 CA :: 53.868 CB :: 41.840 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 :: 7.369 HA :: 4.598 HB2 :: 2.555 HB3 :: 2.555 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 :: 118.871 Ave N Shift Values>> N :: 120.65(3.86) 1.L40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.63 C 0.21 G 0.07 A 0.05 R 0.01 HN Overlap>> 1.Q145 1.Q145 C Shift Assignments>> C :: 178.040 CA :: 54.701 CB :: 43.183 CG :: 26.258 CD1 :: 24.710 CD2 :: 22.796 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 :: 8.359 HA :: 3.951 HB2 :: 1.293 HB3 :: 1.078 HG :: 1.527 HD11 :: 0.379 HD12 :: 0.379 HD13 :: 0.379 HD21 :: 0.397 HD22 :: 0.397 HD23 :: 0.397 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 :: 121.024 Ave N Shift Values>> N :: 121.86(3.9) 1.L41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 L 0.27 R 0.19 G 0.05 C Shift Assignments>> C :: 179.062 CA :: 58.163 CB :: 42.897 CG :: 26.568 CD1 :: 26.717 CD2 :: 26.668 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 :: 9.282 HA :: 3.765 HB2 :: 1.703 HB3 :: 1.703 HG :: 1.419 HD11 :: 0.567 HD12 :: 0.567 HD13 :: 0.567 HD21 :: 0.436 HD22 :: 0.436 HD23 :: 0.436 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 :: 123.183 Ave N Shift Values>> N :: 121.86(3.9) 1.G42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.68 A 0.14 N 0.06 G 0.03 C 0.02 D 0.01 HN Overlap>> 1.G13 1.G13 C Shift Assignments>> C :: 175.199 CA :: 48.914 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 10.067 HA2 :: 4.316 HA3 :: 3.332 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.239 Ave N Shift Values>> N :: 109.67(3.87) 1.R43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.43 C 0.43 K 0.06 G 0.04 C Shift Assignments>> C :: 179.546 CA :: 58.651 CB :: 30.086 CG :: 26.753 CD :: 43.161 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 :: 6.925 HA :: 3.969 HB2 :: 1.921 HB3 :: 1.921 HG2 :: 1.783 HG3 :: 1.908 HD2 :: 3.336 HD3 :: 3.336 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 :: 119.562 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.I44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.9 C 0.09 C Shift Assignments>> C :: 178.049 CA :: 65.318 CB :: 38.336 CG1 :: 28.325 CG2 :: 17.689 CD1 :: 13.901 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 :: 7.510 HA :: 3.547 HB :: 1.954 HG12 :: 1.749 HG13 :: 1.749 HG21 :: 0.889 HG22 :: 0.889 HG23 :: 0.889 HD11 :: 0.755 HD12 :: 0.755 HD13 :: 0.755 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 :: 120.173 Ave N Shift Values>> N :: 121.46(4.28) 1.L45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 L 0.38 R 0.04 C Shift Assignments>> C :: 180.238 CA :: 57.904 CB :: 41.373 CG :: 26.646 CD1 :: 22.874 CD2 :: 26.593 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 :: 8.300 HA :: 3.879 HB2 :: 1.933 HB3 :: 1.282 HG :: 1.722 HD11 :: 0.717 HD12 :: 0.717 HD13 :: 0.717 HD21 :: 0.633 HD22 :: 0.633 HD23 :: 0.633 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 :: 117.559 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 0.79 C 0.2 C Shift Assignments>> C :: 180.646 CA :: 64.872 CB :: 31.897 CG1 :: 23.462 CG2 :: 20.902 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 :: 8.592 HA :: 4.769 HB :: 2.170 HG11 :: 1.088 HG12 :: 1.088 HG13 :: 1.088 HG21 :: 1.047 HG22 :: 1.047 HG23 :: 1.047 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 :: 121.985 Ave N Shift Values>> N :: 121.14(4.54) 1.R47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 R 0.32 G 0.14 K 0.03 C Shift Assignments>> C :: 178.352 CA :: 59.538 CB :: 29.934 CG :: 28.425 CD :: 43.770 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 :: 7.772 HA :: 4.149 HB2 :: 2.123 HB3 :: 1.982 HG2 :: 1.708 HG3 :: 1.708 HD2 :: 3.260 HD3 :: 3.260 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 :: 122.080 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>> K 0.48 C 0.4 R 0.1 HN Overlap>> 1.L84 1.L84 C Shift Assignments>> C :: 176.416 CA :: 56.286 CB :: 32.309 CG :: 24.668 CD :: 28.891 CE :: 41.625 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 :: 7.534 HA :: 4.326 HB2 :: 2.239 HB3 :: 1.794 HG2 :: 1.681 HG3 :: 1.516 HD2 :: 1.611 HD3 :: 1.611 HE2 :: 2.907 HE3 :: 2.907 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 :: 116.473 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 L 0.12 C 0.03 R 0.02 F 0.01 C Shift Assignments>> C :: 174.428 CA :: 45.127 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.618 HA2 :: 3.629 HA3 :: 3.629 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.391 Ave N Shift Values>> N :: 109.67(3.87) 1.L50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.76 C 0.14 G 0.06 A 0.01 R 0.01 C Shift Assignments>> C :: 174.719 CA :: 52.940 CB :: 42.900 CG :: 26.243 CD1 :: 24.878 CD2 :: 24.183 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 :: 8.237 HA :: 4.392 HB2 :: 1.319 HB3 :: 1.234 HG :: 1.391 HD11 :: 0.496 HD12 :: 0.496 HD13 :: 0.496 HD21 :: 0.587 HD22 :: 0.587 HD23 :: 0.587 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 :: 126.986 Ave N Shift Values>> N :: 121.86(3.9) 1.P51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.68 C 0.31 C Shift Assignments>> C :: 178.336 CA :: 63.012 CB :: 32.359 CG :: 28.167 CD :: 51.099 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 :: 4.427 HB2 :: 2.504 HB3 :: 1.669 HG2 :: 2.026 HG3 :: 2.026 HD2 :: 3.316 HD3 :: 4.250 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.E52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 I 0.3 E 0.21 K 0.01 C Shift Assignments>> C :: 178.460 CA :: 60.106 CB :: 29.916 CG :: 37.544 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 :: 9.044 HA :: 3.898 HB2 :: 2.114 HB3 :: 2.114 HG2 :: 2.394 HG3 :: 2.394 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 :: 126.737 Ave N Shift Values>> N :: 120.67(3.48) 1.E53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 I 0.28 E 0.25 K 0.05 Q 0.02 C Shift Assignments>> C :: 177.227 CA :: 60.333 CB :: 28.952 CG :: 36.216 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 :: 9.280 HA :: 3.873 HB2 :: 2.160 HB3 :: 1.899 HG2 :: 2.361 HG3 :: 2.361 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 :: 116.659 Ave N Shift Values>> N :: 120.67(3.48) 1.A54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.91 I 0.04 C 0.03 C Shift Assignments>> C :: 179.209 CA :: 54.449 CB :: 17.342 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 6.626 HA :: 3.571 HB1 :: 0.804 HB2 :: 0.804 HB3 :: 0.804 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.782 Ave N Shift Values>> N :: 123.23(3.54) 1.L55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 L 0.48 C Shift Assignments>> C :: 177.901 CA :: 58.379 CB :: 40.175 CG :: 27.168 CD1 :: 25.509 CD2 :: 24.654 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 :: 7.308 HA :: 3.772 HB2 :: 2.268 HB3 :: 1.240 HG :: 1.064 HD11 :: 0.830 HD12 :: 0.830 HD13 :: 0.830 HD21 :: 0.627 HD22 :: 0.627 HD23 :: 0.627 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 :: 116.311 Ave N Shift Values>> N :: 121.86(3.9) 1.Y56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.65 C 0.34 C Shift Assignments>> C :: 177.850 CA :: 63.266 CB :: 38.459 CD1 :: 131.899 CD2 :: 131.899 CE1 :: 118.149 CE2 :: 118.149 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 :: 8.349 HA :: 3.760 HB2 :: 2.907 HB3 :: 2.684 HD1 :: 7.122 HD2 :: 7.122 HE1 :: 7.003 HE2 :: 7.125 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 :: 117.334 Ave N Shift Values>> N :: 120.52(4.2) 1.R57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.6 R 0.22 G 0.09 K 0.07 HN Overlap>> 1.Q7 1.Q7 C Shift Assignments>> C :: 179.762 CA :: 60.575 CB :: 29.805 CG :: 29.021 CD :: 43.231 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 :: 8.092 HA :: 3.557 HB2 :: 1.762 HB3 :: 1.986 HG2 :: 1.002 HG3 :: 1.227 HD2 :: 3.152 HD3 :: 2.860 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 :: 119.900 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.A58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.84 I 0.07 C 0.06 V 0.01 HN Overlap>> 1.L10 1.L10 C Shift Assignments>> C :: 178.676 CA :: 55.200 CB :: 18.428 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.907 HA :: 4.048 HB1 :: 1.400 HB2 :: 1.400 HB3 :: 1.400 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.348 Ave N Shift Values>> N :: 123.23(3.54) 1.L59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.53 C 0.43 A 0.01 G 0.01 C Shift Assignments>> C :: 179.253 CA :: 57.368 CB :: 42.097 CG :: 25.708 CD1 :: 22.518 CD2 :: 24.075 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 :: 8.517 HA :: 3.757 HB2 :: 1.558 HB3 :: 1.002 HG :: 1.370 HD11 :: 0.280 HD12 :: 0.280 HD13 :: 0.280 HD21 :: -0.079 HD22 :: -0.079 HD23 :: -0.079 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 :: 117.911 Ave N Shift Values>> N :: 121.86(3.9) 1.A60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.76 I 0.15 C 0.06 C Shift Assignments>> C :: 179.054 CA :: 55.482 CB :: 17.482 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 :: 3.846 HB1 :: 1.632 HB2 :: 1.632 HB3 :: 1.632 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.151 Ave N Shift Values>> N :: 123.23(3.54) 1.E61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 E 0.34 I 0.16 K 0.08 Q 0.04 C Shift Assignments>> C :: 179.606 CA :: 59.267 CB :: 29.208 CG :: 36.109 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 :: 7.682 HA :: 4.086 HB2 :: 2.187 HB3 :: 2.047 HG2 :: 2.137 HG3 :: 2.137 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 :: 118.995 Ave N Shift Values>> N :: 120.67(3.48) 1.Q62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 Q 0.21 K 0.18 E 0.18 I 0.04 C Shift Assignments>> C :: 177.007 CA :: 59.219 CB :: 29.666 CG :: 34.571 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 :: 8.539 HA :: 3.860 HB2 :: 2.303 HB3 :: 1.886 HG2 :: 2.136 HG3 :: 2.136 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 :: 118.818 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.K63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.58 C 0.27 R 0.11 G 0.01 C Shift Assignments>> C :: 176.048 CA :: 53.598 CB :: 32.772 CG :: 24.870 CD :: 28.970 CE :: 42.150 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 :: 7.214 HA :: 4.557 HB2 :: 2.023 HB3 :: 1.597 HG2 :: 1.463 HG3 :: 1.463 HD2 :: 1.683 HD3 :: 1.683 HE2 :: 2.982 HE3 :: 2.982 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 :: 111.798 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.85 C 0.07 L 0.04 A 0.01 C Shift Assignments>> C :: 174.608 CA :: 47.175 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.810 HA2 :: 3.951 HA3 :: 3.951 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.956 Ave N Shift Values>> N :: 109.67(3.87) 1.L65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.6 G 0.17 C 0.15 R 0.04 A 0.02 C Shift Assignments>> C :: 175.633 CA :: 53.100 CB :: 43.746 CG :: 27.166 CD1 :: 25.387 CD2 :: 23.843 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 :: 8.609 HA :: 4.650 HB2 :: 1.532 HB3 :: 1.408 HG :: 1.611 HD11 :: 0.794 HD12 :: 0.794 HD13 :: 0.794 HD21 :: 0.794 HD22 :: 0.794 HD23 :: 0.794 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 :: 119.095 Ave N Shift Values>> N :: 121.86(3.9) 1.E66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.46 C 0.39 Q 0.08 K 0.04 I 0.01 C Shift Assignments>> C :: 175.703 CA :: 55.785 CB :: 30.819 CG :: 36.028 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 :: 7.642 HA :: 4.524 HB2 :: 1.980 HB3 :: 1.809 HG2 :: 2.224 HG3 :: 2.224 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 :: 120.729 Ave N Shift Values>> N :: 120.67(3.48) 1.F67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.68 C 0.31 C Shift Assignments>> C :: 174.304 CA :: 57.483 CB :: 40.435 CD1 :: 131.201 CD2 :: 131.201 CE1 :: 129.434 CE2 :: 129.434 CZ :: 130.653 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 :: 8.945 HA :: 5.062 HB2 :: 3.035 HB3 :: 2.968 HD1 :: 7.056 HD2 :: 7.056 HE1 :: 7.170 HE2 :: 7.170 HZ :: 7.075 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 :: 126.540 Ave N Shift Values>> N :: 120.45(4.18) 1.L68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.74 C 0.14 G 0.07 A 0.01 R 0.01 C Shift Assignments>> C :: 173.633 CA :: 52.866 CB :: 43.003 CG :: 26.403 CD1 :: 24.158 CD2 :: 24.898 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 :: 8.439 HA :: 4.395 HB2 :: 1.318 HB3 :: 1.236 HG :: 1.391 HD11 :: 0.584 HD12 :: 0.584 HD13 :: 0.584 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 :: 130.757 Ave N Shift Values>> N :: 121.86(3.9) 1.E69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.4 C 0.36 K 0.09 I 0.07 Q 0.06 C Shift Assignments>> C :: 176.230 CA :: 57.881 CB :: 29.796 CG :: 36.170 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 :: 8.253 HA :: 3.760 HB2 :: 1.997 HB3 :: 2.247 HG2 :: 2.349 HG3 :: 2.349 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 :: 122.364 Ave N Shift Values>> N :: 120.67(3.48) 1.S70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.440 CA :: 55.951 CB :: 64.576 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.403 HA :: 4.626 HB2 :: 3.916 HB3 :: 3.583 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 :: 109.606 Ave N Shift Values>> N :: 116.28(3.52) 1.T71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.86 C 0.13 C Shift Assignments>> C :: 175.240 CA :: 60.649 CB :: 68.963 CG2 :: 21.439 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 :: 8.732 HA :: 4.327 HB :: 4.431 HG21 :: 0.892 HG22 :: 0.892 HG23 :: 0.892 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 :: 112.563 Ave N Shift Values>> N :: 115.42(4.75) 1.E72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.36 I 0.12 K 0.08 Q 0.05 C Shift Assignments>> C :: 177.257 CA :: 58.817 CB :: 29.438 CG :: 36.151 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 :: 8.198 HA :: 3.981 HB2 :: 1.922 HB3 :: 1.922 HG2 :: 2.213 HG3 :: 2.213 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 :: 124.205 Ave N Shift Values>> N :: 120.67(3.48) 1.G73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.66 L 0.18 R 0.06 C 0.03 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> C :: 174.060 CA :: 44.799 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.616 HA2 :: 3.816 HA3 :: 3.816 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.052 Ave N Shift Values>> N :: 109.67(3.87) 1.I74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.69 C 0.3 C Shift Assignments>> C :: 175.400 CA :: 61.301 CB :: 38.034 CG1 :: 26.695 CG2 :: 16.917 CD1 :: 13.382 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 :: 7.152 HA :: 3.839 HB :: 1.660 HG12 :: 1.299 HG13 :: 0.871 HG21 :: 0.551 HG22 :: 0.551 HG23 :: 0.551 HD11 :: 0.625 HD12 :: 0.625 HD13 :: 0.625 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 :: 119.787 Ave N Shift Values>> N :: 121.46(4.28) 1.V75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 V 0.44 C Shift Assignments>> C :: 174.053 CA :: 59.510 CB :: 31.993 CG1 :: 20.659 CG2 :: 20.378 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 :: 8.650 HA :: 4.327 HB :: 2.018 HG11 :: 0.831 HG12 :: 0.831 HG13 :: 0.831 HG21 :: 0.857 HG22 :: 0.857 HG23 :: 0.857 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 :: 131.545 Ave N Shift Values>> N :: 121.14(4.54) 1.P76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.69 C 0.3 C Shift Assignments>> C :: 175.143 CA :: 62.605 CB :: 31.485 CG :: 26.951 CD :: 50.581 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 :: 4.283 HB2 :: 2.015 HB3 :: 1.894 HG2 :: 1.425 HG3 :: 1.425 HD2 :: 3.724 HD3 :: 3.650 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.D77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.51 L 0.17 D 0.12 R 0.09 C 0.04 N 0.01 F 0.01 HN Overlap>> 1.A125 1.A125 C Shift Assignments>> C :: 176.485 CA :: 50.589 CB :: 43.429 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 :: 8.049 HA :: 4.947 HB2 :: 2.790 HB3 :: 2.487 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 :: 125.150 Ave N Shift Values>> N :: 120.65(3.86) 1.P78 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 :: 178.950 CA :: 64.728 CB :: 32.181 CG :: 27.370 CD :: 51.439 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 :: 4.391 HB2 :: 2.385 HB3 :: 1.991 HG2 :: 2.032 HG3 :: 2.107 HD2 :: 3.999 HD3 :: 4.200 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.S79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.859 CA :: 61.384 CB :: 62.816 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.578 HA :: 4.261 HB2 :: 4.060 HB3 :: 3.964 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 :: 113.200 Ave N Shift Values>> N :: 116.28(3.52) 1.A80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.97 C 0.01 C Shift Assignments>> C :: 178.274 CA :: 53.088 CB :: 17.707 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.620 HA :: 4.177 HB1 :: 0.738 HB2 :: 0.738 HB3 :: 0.738 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.124 Ave N Shift Values>> N :: 123.23(3.54) 1.A81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.88 I 0.07 C 0.04 C Shift Assignments>> C :: 178.815 CA :: 54.730 CB :: 17.259 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.151 HA :: 3.972 HB1 :: 1.107 HB2 :: 1.107 HB3 :: 1.107 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.033 Ave N Shift Values>> N :: 123.23(3.54) 1.L82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.63 C 0.32 R 0.02 C Shift Assignments>> C :: 177.911 CA :: 56.032 CB :: 42.085 CG :: 26.645 CD1 :: 23.601 CD2 :: 24.932 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 :: 6.951 HA :: 4.310 HB2 :: 1.790 HB3 :: 1.658 HG :: 1.896 HD11 :: 0.947 HD12 :: 0.947 HD13 :: 0.947 HD21 :: 0.948 HD22 :: 0.948 HD23 :: 0.948 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 :: 112.466 Ave N Shift Values>> N :: 121.86(3.9) 1.L83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.57 C 0.34 K 0.04 A 0.02 G 0.01 C Shift Assignments>> C :: 176.808 CA :: 56.570 CB :: 42.123 CG :: 26.750 CD2 :: 22.540 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 :: 7.633 HA :: 4.126 HB2 :: 1.840 HB3 :: 1.541 HG :: 1.024 HD11 :: 0.975 HD12 :: 0.975 HD13 :: 0.975 HD21 :: 0.975 HD22 :: 0.975 HD23 :: 0.975 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 :: 116.922 Ave N Shift Values>> N :: 121.86(3.9) 1.L84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.59 L 0.21 C 0.18 HN Overlap>> 1.K48 1.K48 C Shift Assignments>> C :: 175.953 CA :: 53.150 CB :: 45.948 CG :: 27.166 CD1 :: 25.482 CD2 :: 25.993 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 :: 7.455 HA :: 4.881 HB2 :: 1.658 HB3 :: 1.538 HG :: 1.600 HD11 :: 0.947 HD12 :: 0.947 HD13 :: 0.947 HD21 :: 0.908 HD22 :: 0.908 HD23 :: 0.908 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 :: 116.542 Ave N Shift Values>> N :: 121.86(3.9) 1.L85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.58 C 0.27 R 0.07 A 0.04 G 0.02 C Shift Assignments>> C :: 179.030 CA :: 55.003 CB :: 42.545 CG :: 27.099 CD1 :: 22.960 CD2 :: 25.237 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 :: 9.256 HA :: 4.375 HB2 :: 1.761 HB3 :: 1.713 HG :: 1.955 HD11 :: 1.025 HD12 :: 1.025 HD13 :: 1.025 HD21 :: 1.013 HD22 :: 1.013 HD23 :: 1.013 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 :: 123.483 Ave N Shift Values>> N :: 121.86(3.9) 1.R86 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 R 0.42 K 0.04 G 0.04 C Shift Assignments>> C :: 177.290 CA :: 59.789 CB :: 29.849 CG :: 27.432 CD :: 43.015 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 :: 8.924 HA :: 3.135 HB2 :: 1.856 HB3 :: 1.757 HG2 :: 1.700 HG3 :: 1.700 HD2 :: 3.240 HD3 :: 3.240 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 :: 124.402 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) SRO Rule Breaks>> (HA > HD2 : 0.9912) 1.S87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.356 CA :: 61.856 CB :: 60.995 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.084 HA :: 3.878 HB2 :: 4.066 HB3 :: 4.302 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 :: 108.926 Ave N Shift Values>> N :: 116.28(3.52) 1.D88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.2 K 0.2 L 0.16 Y 0.16 D 0.1 C 0.08 I 0.03 R 0.02 N 0.01 C Shift Assignments>> C :: 177.074 CA :: 57.328 CB :: 41.311 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 :: 7.046 HA :: 4.711 HB2 :: 2.899 HB3 :: 2.606 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 :: 123.925 Ave N Shift Values>> N :: 120.65(3.86) 1.A89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.65 I 0.15 C 0.12 V 0.04 L 0.01 C Shift Assignments>> C :: 180.459 CA :: 56.102 CB :: 18.789 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.524 HA :: 4.475 HB1 :: 1.638 HB2 :: 1.638 HB3 :: 1.638 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.222 Ave N Shift Values>> N :: 123.23(3.54) 1.L90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.57 C 0.37 R 0.02 G 0.01 C Shift Assignments>> C :: 179.331 CA :: 57.379 CB :: 42.448 CG :: 26.775 CD1 :: 23.668 CD2 :: 24.560 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 :: 7.989 HA :: 3.930 HB2 :: 1.621 HB3 :: 1.851 HG :: 1.437 HD11 :: 0.720 HD12 :: 0.720 HD13 :: 0.720 HD21 :: 0.682 HD22 :: 0.682 HD23 :: 0.682 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 :: 114.484 Ave N Shift Values>> N :: 121.86(3.9) 1.R91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 R 0.39 K 0.08 G 0.06 C Shift Assignments>> C :: 177.783 CA :: 58.983 CB :: 29.972 CG :: 26.341 CD :: 43.335 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 :: 7.687 HA :: 3.778 HB2 :: 1.769 HB3 :: 1.439 HG2 :: 0.939 HG3 :: 0.858 HD2 :: 2.779 HD3 :: 2.779 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 :: 119.230 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.Y92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.62 C 0.37 C Shift Assignments>> C :: 174.493 CA :: 57.043 CB :: 38.334 CD1 :: 132.000 CD2 :: 132.000 CE1 :: 117.898 CE2 :: 117.898 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 :: 8.008 HA :: 4.050 HB2 :: 3.086 HB3 :: 2.454 HD1 :: 6.759 HD2 :: 6.905 HE1 :: 6.644 HE2 :: 6.644 HH :: 8.660 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 :: 113.945 Ave N Shift Values>> N :: 120.52(4.2) 1.G93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 C 0.08 L 0.04 A 0.02 P 0.01 C Shift Assignments>> C :: 173.377 CA :: 47.379 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.310 HA2 :: 3.367 HA3 :: 3.367 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.678 Ave N Shift Values>> N :: 109.67(3.87) 1.A94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.48 L 0.26 C 0.14 K 0.06 R 0.01 A 0.01 HN Overlap>> 1.W135 1.W135 C Shift Assignments>> C :: 174.437 CA :: 50.370 CB :: 24.774 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.970 HA :: 5.600 HB1 :: 1.210 HB2 :: 1.210 HB3 :: 1.210 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.178 Ave N Shift Values>> N :: 123.23(3.54) 1.V95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.73 V 0.25 C Shift Assignments>> C :: 174.076 CA :: 58.541 CB :: 35.633 CG1 :: 21.942 CG2 :: 21.989 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 :: 8.972 HA :: 5.010 HB :: 1.946 HG11 :: 0.799 HG12 :: 0.799 HG13 :: 0.799 HG21 :: 0.636 HG22 :: 0.636 HG23 :: 0.636 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 :: 117.019 Ave N Shift Values>> N :: 121.14(4.54) 1.P96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.88 P 0.11 C Shift Assignments>> C :: 176.575 CA :: 60.796 CB :: 31.575 CG :: 28.427 CD :: 52.234 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 :: 5.085 HB2 :: 1.782 HB3 :: 1.696 HG2 :: 2.271 HG3 :: 1.579 HD2 :: 4.185 HD3 :: 3.999 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.I97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.56 C 0.43 C Shift Assignments>> C :: 176.310 CA :: 61.327 CB :: 40.458 CG1 :: 26.174 CG2 :: 19.803 CD1 :: 13.415 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 :: 8.538 HA :: 4.515 HB :: 1.748 HG12 :: 1.194 HG13 :: 0.661 HG21 :: 0.786 HG22 :: 0.786 HG23 :: 0.786 HD11 :: 0.473 HD12 :: 0.473 HD13 :: 0.473 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 :: 112.730 Ave N Shift Values>> N :: 121.46(4.28) 1.G98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.85 L 0.08 C 0.02 C Shift Assignments>> C :: 169.50 CA :: 45.458 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.082 HA2 :: 3.712 HA3 :: 3.712 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.207 Ave N Shift Values>> N :: 109.67(3.87) 1.F99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 F 0.39 G 0.1 C Shift Assignments>> C :: 175.688 CA :: 56.118 CB :: 42.597 CD1 :: 131.783 CD2 :: 131.783 CE1 :: 128.568 CE2 :: 128.568 CZ :: 132.226 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 :: 8.845 HA :: 5.496 HB2 :: 2.810 HB3 :: 2.810 HD1 :: 7.217 HD2 :: 7.217 HE1 :: 7.050 HE2 :: 7.050 HZ :: 7.035 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 :: 118.066 Ave N Shift Values>> N :: 120.45(4.18) 1.Q100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 Q 0.39 E 0.08 K 0.07 HN Overlap>> 1.W135 1.W135 C Shift Assignments>> C :: 175.749 CA :: 55.520 CB :: 31.406 CG :: 33.640 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 :: 9.087 HA :: 4.509 HB2 :: 1.885 HB3 :: 1.885 HG2 :: 2.246 HG3 :: 2.246 HE21 :: 7.351 HE22 :: 6.679 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 :: 121.163 NE2 :: 111.166 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.N101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.43 C 0.17 Y 0.11 F 0.09 D 0.07 E 0.07 L 0.02 I 0.01 C Shift Assignments>> C :: 174.932 CA :: 54.160 CB :: 37.697 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 :: 9.443 HA :: 4.369 HB2 :: 3.088 HB3 :: 2.772 HD21 :: 7.594 HD22 :: 6.815 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 :: 125.575 ND2 :: 112.855 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.G102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.83 L 0.09 C 0.02 R 0.01 C Shift Assignments>> C :: 174.057 CA :: 45.295 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.609 HA2 :: 4.177 HA3 :: 3.632 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 103.951 Ave N Shift Values>> N :: 109.67(3.87) 1.E103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 E 0.45 Q 0.05 K 0.01 C Shift Assignments>> C :: 175.560 CA :: 54.589 CB :: 31.384 CG :: 36.265 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 :: 7.973 HA :: 4.481 HB2 :: 2.057 HB3 :: 1.618 HG2 :: 1.946 HG3 :: 1.946 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 :: 120.591 Ave N Shift Values>> N :: 120.67(3.48) 1.V104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.56 C 0.43 C Shift Assignments>> C :: 174.212 CA :: 60.816 CB :: 32.731 CG1 :: 22.079 CG2 :: 20.747 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 :: 8.384 HA :: 4.296 HB :: 1.824 HG11 :: 0.787 HG12 :: 0.787 HG13 :: 0.787 HG21 :: 0.775 HG22 :: 0.775 HG23 :: 0.775 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 :: 122.333 Ave N Shift Values>> N :: 121.14(4.54) 1.E105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 E 0.46 Q 0.01 K 0.01 I 0.01 C Shift Assignments>> C :: 175.960 CA :: 55.242 CB :: 31.107 CG :: 36.851 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 :: 8.782 HA :: 4.894 HB2 :: 1.905 HB3 :: 1.699 HG2 :: 2.179 HG3 :: 1.991 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 :: 127.340 Ave N Shift Values>> N :: 120.67(3.48) 1.V106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 V 0.49 C Shift Assignments>> C :: 173.930 CA :: 60.579 CB :: 34.660 CG1 :: 21.678 CG2 :: 22.304 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 :: 8.870 HA :: 4.716 HB :: 1.786 HG11 :: 0.554 HG12 :: 0.554 HG13 :: 0.554 HG21 :: 0.846 HG22 :: 0.846 HG23 :: 0.846 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 :: 124.043 Ave N Shift Values>> N :: 121.14(4.54) 1.V107 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 :: 175.278 CA :: 61.964 CB :: 31.827 CG1 :: 22.922 CG2 :: 21.861 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 :: 8.945 HA :: 4.650 HB :: 2.067 HG11 :: 0.950 HG12 :: 0.950 HG13 :: 0.950 HG21 :: 0.766 HG22 :: 0.766 HG23 :: 0.766 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 :: 126.848 Ave N Shift Values>> N :: 121.14(4.54) 1.L108 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.46 G 0.21 C 0.19 A 0.06 R 0.06 C Shift Assignments>> C :: 176.660 CA :: 53.598 CB :: 43.918 CG :: 27.181 CD1 :: 23.076 CD2 :: 25.512 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 :: 9.568 HA :: 5.953(S) HB2 :: 1.924 HB3 :: 1.781 HG :: 2.104 HD11 :: 1.057 HD12 :: 1.057 HD13 :: 1.057 HD21 :: 0.769 HD22 :: 0.769 HD23 :: 0.769 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 :: 129.460 Ave N Shift Values>> N :: 121.86(3.9) 1.S109 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.549 CA :: 57.261 CB :: 64.073 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.454 HA :: 4.943 HB2 :: 3.507 HB3 :: 2.563(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 :: 111.656 Ave N Shift Values>> N :: 116.28(3.52) 1.D110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 L 0.26 R 0.08 N 0.08 G 0.06 K 0.05 C 0.05 F 0.03 Y 0.01 C Shift Assignments>> C :: 175.911 CA :: 51.208 CB :: 42.444 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 :: 8.173 HA :: 4.896 HB2 :: 2.732 HB3 :: 2.889 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 :: 122.049 Ave N Shift Values>> N :: 120.65(3.86) 1.P111 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 :: 176.838 CA :: 64.045 CB :: 32.158 CG :: 27.386 CD :: 50.251 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 :: 4.079 HB2 :: 2.072 HB3 :: 1.968 HG2 :: 1.863 HG3 :: 1.863 HD2 :: 4.276 HD3 :: 3.492 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.R112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 R 0.41 G 0.07 K 0.06 L 0.01 C Shift Assignments>> C :: 177.663 CA :: 58.453 CB :: 29.815 CG :: 26.547 CD :: 43.498 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 :: 8.390 HA :: 4.075 HB2 :: 1.709 HB3 :: 1.380 HG2 :: 1.743 HG3 :: 1.743 HD2 :: 3.331 HD3 :: 3.087 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 :: 118.018 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.H113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.18 R 0.18 C 0.16 K 0.12 W 0.12 E 0.1 Q 0.1 C Shift Assignments>> C :: 174.471 CA :: 54.843 CB :: 31.320 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 :: 7.044 HA :: 5.142 HB2 :: 3.046 HB3 :: 3.645 HD2 :: 7.965 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 :: 113.203 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.K114 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.77 K 0.19 R 0.01 C Shift Assignments>> C :: 176.252 CA :: 60.982 CB :: 32.446 CG :: 22.951 CD :: 30.152 CE :: 41.832 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 :: 7.159 HA :: 3.180 HB2 :: 1.528 HB3 :: 1.428 HG2 :: 0.242(S) HG3 :: 0.486 HD2 :: 1.340 HD3 :: 1.340 HE2 :: 2.740 HE3 :: 2.740 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 :: 119.487 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.44 C 0.36 E 0.16 K 0.02 C Shift Assignments>> C :: 178.935 CA :: 60.317 CB :: 28.273 CG :: 37.035 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 :: 8.623 HA :: 3.894 HB2 :: 2.059 HB3 :: 1.933 HG2 :: 2.401 HG3 :: 2.401 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 :: 116.786 Ave N Shift Values>> N :: 120.67(3.48) 1.A116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.9 I 0.05 C 0.04 C Shift Assignments>> C :: 180.677 CA :: 54.708 CB :: 17.955 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 :: 3.960 HB1 :: 1.139 HB2 :: 1.139 HB3 :: 1.139 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.303 Ave N Shift Values>> N :: 123.23(3.54) 1.V117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.59 C 0.4 C Shift Assignments>> C :: 177.533 CA :: 66.182 CB :: 31.131 CG1 :: 24.676 CG2 :: 21.983 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 :: 7.824 HA :: 3.353 HB :: 2.112 HG11 :: 0.904 HG12 :: 0.904 HG13 :: 0.904 HG21 :: 1.000 HG22 :: 1.000 HG23 :: 1.000 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 :: 117.576 Ave N Shift Values>> N :: 121.14(4.54) 1.A118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.71 I 0.18 C 0.08 V 0.01 HN Overlap>> 1.K11 1.K11 C Shift Assignments>> C :: 181.018 CA :: 55.771 CB :: 17.939 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.646 HA :: 4.226 HB1 :: 1.668 HB2 :: 1.668 HB3 :: 1.668 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.835 Ave N Shift Values>> N :: 123.23(3.54) 1.Q119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 Q 0.27 K 0.25 E 0.08 R 0.05 I 0.02 C Shift Assignments>> C :: 177.811 CA :: 58.274 CB :: 28.545 CG :: 34.030 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 :: 7.834 HA :: 4.118 HB2 :: 2.120 HB3 :: 2.120 HG2 :: 2.523 HG3 :: 2.523 HE21 :: 7.355 HE22 :: 6.522 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 :: 116.573 NE2 :: 109.946 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.54 C 0.35 R 0.06 G 0.02 C Shift Assignments>> C :: 179.194 CA :: 57.263 CB :: 42.665 CG :: 26.790 CD1 :: 23.973 CD2 :: 25.282 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 :: 7.515 HA :: 4.133 HB2 :: 1.786 HB3 :: 1.603 HG :: 1.695 HD11 :: 0.853 HD12 :: 0.853 HD13 :: 0.853 HD21 :: 0.838 HD22 :: 0.838 HD23 :: 0.838 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 :: 119.889 Ave N Shift Values>> N :: 121.86(3.9) 1.L121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.57 C 0.33 G 0.04 R 0.04 C Shift Assignments>> C :: 177.869 CA :: 56.806 CB :: 43.037 CG :: 26.730 CD1 :: 24.968 CD2 :: 24.755 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 :: 8.071 HA :: 4.117 HB2 :: 1.995 HB3 :: 1.319 HG :: 1.888 HD11 :: 0.948 HD12 :: 0.948 HD13 :: 0.948 HD21 :: 0.797 HD22 :: 0.797 HD23 :: 0.797 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 :: 117.057 Ave N Shift Values>> N :: 121.86(3.9) 1.N122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.48 C 0.15 Y 0.1 D 0.08 F 0.08 E 0.04 L 0.02 C Shift Assignments>> C :: 173.396 CA :: 53.868 CB :: 37.844 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 :: 8.158 HA :: 4.431 HB2 :: 3.206 HB3 :: 2.524 HD21 :: 7.469 HD22 :: 6.680 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 :: 113.841 ND2 :: 110.813 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.R123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.44 C 0.4 R 0.09 K 0.02 A 0.01 L 0.01 C Shift Assignments>> C :: 172.527 CA :: 53.425 CB :: 30.433 CG :: 24.445 CD :: 44.108 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 :: 7.272 HA :: 4.853 HB2 :: 2.013 HB3 :: 2.013 HG2 :: 1.619 HG3 :: 1.539 HD2 :: 3.243 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 :: 112.512 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.P124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.82 C 0.17 C Shift Assignments>> C :: 175.917 CA :: 64.324 CB :: 32.377 CG :: 27.832 CD :: 50.582 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 :: 2.451 HB3 :: 1.991 HG2 :: 2.208 HG3 :: 2.208 HD2 :: 3.853 HD3 :: 3.735 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.A125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.46 A 0.31 C 0.17 K 0.03 HN Overlap>> 1.D77 1.D77 C Shift Assignments>> C :: 174.671 CA :: 50.673 CB :: 23.067 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.123 HA :: 5.222 HB1 :: 0.823 HB2 :: 0.823 HB3 :: 0.823 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.208 Ave N Shift Values>> N :: 123.23(3.54) 1.R126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.52 C 0.31 R 0.15 C Shift Assignments>> C :: 173.977 CA :: 54.413 CB :: 32.648 CG :: 28.720 CD :: 42.011 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 :: 8.680 HA :: 4.449 HB2 :: 1.667 HB3 :: 1.591 HG2 :: 1.610 HG3 :: 1.610 HD2 :: 2.901 HD3 :: 2.901 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 :: 122.297 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.F127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.63 C 0.29 G 0.07 C Shift Assignments>> C :: 174.908 CA :: 57.799 CB :: 42.791 CD1 :: 131.966 CD2 :: 131.966 CE1 :: 129.344 CE2 :: 129.344 CZ :: 131.405 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 :: 8.468 HA :: 5.482 HB2 :: 2.912 HB3 :: 2.810 HD1 :: 7.211 HD2 :: 7.211 HE1 :: 6.960 HE2 :: 6.960 HZ :: 7.167 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 :: 121.404 Ave N Shift Values>> N :: 120.45(4.18) 1.Y128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.73 C 0.21 G 0.05 C Shift Assignments>> C :: 174.504 CA :: 55.489 CB :: 42.643 CD1 :: 133.138 CD2 :: 133.138 CE1 :: 117.622 CE2 :: 117.622 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 :: 9.180 HA :: 5.433 HB2 :: 3.019 HB3 :: 2.722 HD1 :: 6.892 HD2 :: 6.892 HE1 :: 6.597 HE2 :: 6.597 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 :: 120.866 Ave N Shift Values>> N :: 120.52(4.2) 1.L129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.49 C 0.3 L 0.18 A 0.01 C Shift Assignments>> C :: 172.912 CA :: 53.244 CB :: 46.538 CG :: 27.612 CD2 :: 24.412 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 :: 8.935 HA :: 5.378 HB2 :: 1.913 HB3 :: 1.247 HG :: 0.929 HD11 :: 0.903 HD12 :: 0.903 HD13 :: 0.903 HD21 :: 0.903 HD22 :: 0.903 HD23 :: 0.903 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 :: 123.348 Ave N Shift Values>> N :: 121.86(3.9) 1.A130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.46 L 0.25 C 0.18 G 0.07 K 0.01 C Shift Assignments>> C :: 174.900 CA :: 49.341 CB :: 22.823 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.463 HA :: 4.890 HB1 :: 1.202 HB2 :: 1.202 HB3 :: 1.202 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.586 Ave N Shift Values>> N :: 123.23(3.54) 1.L131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.68 C 0.26 A 0.04 C Shift Assignments>> C :: 176.501 CA :: 53.627 CB :: 40.753 CG :: 27.731 CD1 :: 25.863 CD2 :: 23.582 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 :: 8.469 HA :: 3.852 HB2 :: 1.595 HB3 :: 1.595 HG :: 1.832 HD11 :: 1.086 HD12 :: 1.086 HD13 :: 1.086 HD21 :: 0.656 HD22 :: 0.656 HD23 :: 0.656 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 :: 117.123 Ave N Shift Values>> N :: 121.86(3.9) 1.P132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.8 C 0.19 C Shift Assignments>> C :: 178.949 CA :: 66.978 CB :: 32.242 CG :: 27.858 CD :: 49.887 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 :: 4.227 HB2 :: 2.458 HB3 :: 2.011 HG2 :: 2.124 HG3 :: 2.246 HD2 :: 3.300 HD3 :: 3.408 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.Q133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 Q 0.22 K 0.17 R 0.08 E 0.05 I 0.04 C Shift Assignments>> C :: 178.148 CA :: 59.267 CB :: 27.720 CG :: 34.033 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 :: 8.945 HA :: 4.191 HB2 :: 2.115 HB3 :: 2.115 HG2 :: 2.456 HG3 :: 2.456 HE21 :: 7.561 HE22 :: 6.895 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 :: 116.186 NE2 :: 112.354 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.A134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.93 C 0.03 I 0.01 L 0.01 C Shift Assignments>> C :: 180.666 CA :: 54.044 CB :: 19.042 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 6.936 HA :: 4.209 HB1 :: 1.540 HB2 :: 1.540 HB3 :: 1.540 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.957 Ave N Shift Values>> N :: 123.23(3.54) 1.W135 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.56 C 0.43 HN Overlap>> 1.A94 1.Q100 1.A94 1.Q100 C Shift Assignments>> C :: 177.157 CA :: 63.408 CB :: 28.950 CD1 :: 125.392 CE3 :: 119.250 CZ2 :: 114.766 CZ3 :: 120.535 CH2 :: 125.014 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 :: 9.064 HA :: 3.563 HB2 :: 3.576 HB3 :: 2.862 HD1 :: 6.669 HE1 :: 8.672 HE3 :: 7.084 HZ2 :: 7.174 HZ3 :: 7.374 HH2 :: 6.350 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 :: 121.160 NE1 :: 128.643 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) SRO Rule Breaks>> (HA > HB2 : 0.9942) 1.E136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 E 0.3 I 0.2 K 0.07 Q 0.03 C Shift Assignments>> C :: 178.418 CA :: 60.069 CB :: 29.349 CG :: 36.033 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 :: 8.562 HA :: 3.746 HB2 :: 2.331 HB3 :: 2.194 HG2 :: 2.582 HG3 :: 2.499 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 :: 118.615 Ave N Shift Values>> N :: 120.67(3.48) 1.E137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 E 0.35 I 0.12 K 0.09 Q 0.06 C Shift Assignments>> C :: 178.558 CA :: 59.040 CB :: 29.480 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 :: 7.304 HA :: 3.948 HB2 :: 2.025 HB3 :: 2.025 HG2 :: 2.426 HG3 :: 2.281 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 :: 117.325 Ave N Shift Values>> N :: 120.67(3.48) 1.L138 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 :: 177.881 CA :: 57.261 CB :: 41.626 CG :: 26.680 CD1 :: 23.743 CD2 :: 25.101 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 :: 7.111 HA :: 3.841 HB2 :: 1.494 HB3 :: 1.415 HG :: 1.439 HD11 :: 0.722 HD12 :: 0.722 HD13 :: 0.722 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 :: 119.027 Ave N Shift Values>> N :: 121.86(3.9) 1.F139 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> F 0.62 C 0.37 HN Overlap>> 1.L17 1.L17 C Shift Assignments>> C :: 176.489 CA :: 62.034 CB :: 38.084 CD1 :: 132.037 CD2 :: 132.037 CE1 :: 129.532 CE2 :: 129.532 CZ :: 130.188 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 :: 8.514 HA :: 3.582 HB2 :: 2.472 HB3 :: 1.306(S) HD1 :: 6.903 HD2 :: 6.903 HE1 :: 6.951 HE2 :: 6.951 HZ :: 7.214 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 :: 120.780 Ave N Shift Values>> N :: 120.45(4.18) 1.R140 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 R 0.36 G 0.1 K 0.05 C Shift Assignments>> C :: 177.849 CA :: 58.602 CB :: 30.179 CG :: 28.427 CD :: 43.652 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 :: 7.811 HA :: 3.763 HB2 :: 1.873 HB3 :: 1.808 HG2 :: 1.950 HG3 :: 1.950 HD2 :: 3.193 HD3 :: 3.193 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 :: 115.708 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.R141 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 R 0.37 G 0.13 K 0.03 C Shift Assignments>> C :: 177.255 CA :: 57.907 CB :: 30.777 CG :: 28.169 CD :: 43.934 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 :: 7.138 HA :: 4.087 HB2 :: 1.791 HB3 :: 1.710 HG2 :: 1.879 HG3 :: 1.879 HD2 :: 3.241 HD3 :: 3.241 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 :: 115.183 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.A142 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.83 L 0.09 C 0.05 C Shift Assignments>> C :: 176.395 CA :: 53.268 CB :: 20.654 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.926 HA :: 3.822 HB1 :: 0.885 HB2 :: 0.885 HB3 :: 0.885 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.187 Ave N Shift Values>> N :: 123.23(3.54) 1.Y143 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.65 C 0.34 C Shift Assignments>> C :: 172.782 CA :: 54.987 CB :: 38.074 CD1 :: 133.322 CD2 :: 133.322 CE1 :: 117.347 CE2 :: 117.347 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 :: 7.653 HA :: 4.649 HB2 :: 2.468 HB3 :: 1.868 HD1 :: 6.817 HD2 :: 6.817 HE1 :: 6.819 HE2 :: 6.819 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 :: 113.917 Ave N Shift Values>> N :: 120.52(4.2) 1.P144 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 :: 177.281 CA :: 63.306 CB :: 32.116 CG :: 26.971 CD :: 49.973 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 :: 4.463 HB2 :: 2.245 HB3 :: 1.895 HG2 :: 1.898 HG3 :: 1.898 HD2 :: 3.386 HD3 :: 3.205 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.Q145 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.35 C 0.28 K 0.24 E 0.1 R 0.01 HN Overlap>> 1.L40 1.L40 C Shift Assignments>> C :: 174.797 CA :: 55.906 CB :: 30.073 CG :: 33.927 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 :: 8.363 HA :: 4.313 HB2 :: 2.075 HB3 :: 2.075 HG2 :: 2.376 HG3 :: 2.376 HE21 :: 7.527 HE22 :: 6.736 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 :: 121.007 NE2 :: 112.066 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.K146 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.46 C 0.45 R 0.07 C Shift Assignments>> C :: 180.958 CA :: 57.744 CB :: 33.727 CG :: 24.625 CD :: 29.038 CE :: 42.097 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 :: 7.863 HA :: 4.159 HB2 :: 1.807 HB3 :: 1.700 HG2 :: 1.383 HG3 :: 1.383 HD2 :: 1.704 HD3 :: 1.704 HE2 :: 2.980 HE3 :: 2.980 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 :: 128.239 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.C2E1 Overall Status: Residue type C2E not supported. ########################################################################### Overall Results: #Consistent: 138 #Clerical: 0 #Suspicious: 8 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 144 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 2 Shift Relative Order (SRO) Results: #Consistent: 144 #Suspicious: 2 C Shift Results: #Consistent: 658 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent:1062 #Duplicate: 0 #Unknown: 0 #Suspicious: 9 #Anomalous: 0 N Shift Results: #Consistent: 147 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.K11 HD3 = 0.860(S), Expected = 1.60, Std = 0.2200, ChiSquare = 7.6923e-04 1.K19 HB2 = 0.932(S), Expected = 1.78, Std = 0.2500, ChiSquare = 6.9384e-04 1.K19 HB3 = 0.572(S), Expected = 1.74, Std = 0.2700, ChiSquare = 1.5189e-05 1.K19 HD2 = 0.762(S), Expected = 1.61, Std = 0.2200, ChiSquare = 1.1594e-04 1.K19 HD3 = 0.762(S), Expected = 1.60, Std = 0.2200, ChiSquare = 1.3948e-04 1.R86 SRO Rule Break>> HA > HD2 : 0.991153846153846 1.L108 HA = 5.953(S), Expected = 4.32, Std = 0.4700, ChiSquare = 5.1187e-04 1.S109 HB3 = 2.563(S), Expected = 3.85, Std = 0.2700, ChiSquare = 1.8730e-06 1.K114 HG2 = 0.242(S), Expected = 1.37, Std = 0.2600, ChiSquare = 1.4348e-05 1.W135 SRO Rule Break>> HA > HB2 : 0.994219653179191 1.F139 HB3 = 1.306(S), Expected = 2.93, Std = 0.4000, ChiSquare = 4.9073e-05