Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 176.615 CA :: 63.032 CB :: 32.360 CG :: 26.993 CD :: 49.634 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 :: 1.864 HB3 :: 2.275 HG2 :: 1.959 HG3 :: 2.017 HD2 :: 3.573 HD3 :: 3.573 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.H3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.2 Q 0.19 R 0.18 E 0.17 K 0.13 M 0.08 C Shift Assignments>> C :: 174.951 CA :: 55.928 CB :: 29.892 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.627 HA :: 4.657 HB2 :: 3.174 HB3 :: 3.174 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 :: 119.961 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.M4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.76 A 0.22 C Shift Assignments>> C :: 175.719 CA :: 55.241 CB :: 33.164 CG :: 31.786 CE :: 16.922 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.360 HA :: 4.472 HB2 :: 1.974 HB3 :: 2.059 HG2 :: 2.516 HG3 :: 2.584 HE1 :: 2.104 HE2 :: 2.104 HE3 :: 2.104 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 122.609 Ave N Shift Values>> N :: 120.09(3.57) 1.A5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.88 M 0.1 C Shift Assignments>> C :: 177.415 CA :: 52.572 CB :: 19.259 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.404 HA :: 4.252 HB1 :: 1.405 HB2 :: 1.405 HB3 :: 1.405 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.662 Ave N Shift Values>> N :: 123.23(3.54) 1.Q6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.41 K 0.35 M 0.11 E 0.08 R 0.03 HN Overlap>> 1.K41 1.K41 C Shift Assignments>> C :: 175.602 CA :: 55.983 CB :: 29.599 CG :: 33.690 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 :: 8.292 HA :: 4.228 HB2 :: 1.912 HB3 :: 1.912 HG2 :: 2.173 HG3 :: 2.219 HE21 :: 7.469 HE22 :: 6.855 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 :: 119.294 NE2 :: 112.462 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.F7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.33 Y 0.32 D 0.11 L 0.09 I 0.08 N 0.03 K 0.01 C Shift Assignments>> C :: 175.335 CA :: 57.424 CB :: 39.809 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 :: 8.170 HA :: 4.656 HB2 :: 2.998 HB3 :: 3.192 HD1 :: 7.264 HD2 :: 7.264 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 :: 120.787 Ave N Shift Values>> N :: 120.45(4.18) 1.A8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.91 M 0.07 L 0.01 C Shift Assignments>> C :: 177.543 CA :: 52.420 CB :: 19.637 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.221 HA :: 4.388 HB1 :: 1.389 HB2 :: 1.389 HB3 :: 1.389 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.263 Ave N Shift Values>> N :: 123.23(3.54) 1.T9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.461 CA :: 61.905 CB :: 69.598 CG2 :: 21.655 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 :: 8.146 HA :: 4.365 HB :: 4.216 HG21 :: 1.211 HG22 :: 1.211 HG23 :: 1.211 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 113.857 Ave N Shift Values>> N :: 115.42(4.75) 1.T10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 HN Overlap>> 1.H69 1.H69 C Shift Assignments>> C :: 173.895 CA :: 61.912 CB :: 69.764 CG2 :: 21.600 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 :: 8.126 HA :: 4.364 HB :: 4.194 HG21 :: 1.175 HG22 :: 1.175 HG23 :: 1.175 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 116.727 Ave N Shift Values>> N :: 115.42(4.75) 1.V11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 175.004 CA :: 61.730 CB :: 33.189 CG1 :: 20.548 CG2 :: 21.022 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 :: 8.005 HA :: 4.069 HB :: 1.975 HG11 :: .884 HG12 :: .884 HG13 :: .884 HG21 :: .853 HG22 :: .853 HG23 :: .853 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 :: 123.186 Ave N Shift Values>> N :: 121.14(4.54) 1.L12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.84 G 0.1 R 0.03 C Shift Assignments>> C :: 174.546 CA :: 52.401 CB :: 43.011 CG :: 26.325 CD1 :: 25.730 CD2 :: 25.246 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 :: 8.366 HA :: 4.518 HB2 :: 1.409 HB3 :: 1.778 HG :: 1.737 HD11 :: .784 HD12 :: .784 HD13 :: .784 HD21 :: .927 HD22 :: .927 HD23 :: .927 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 128.351 Ave N Shift Values>> N :: 121.86(3.9) 1.P13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> CA :: 61.806 CB :: 30.837 CG :: 27.395 CD :: 51.319 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 :: 4.667 HB2 :: 2.019 HB3 :: 2.578 HG2 :: 1.641 HG3 :: 1.893 HD2 :: 3.411 HD3 :: 4.210 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.P14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 175.367 CA :: 61.463 CB :: 32.854 CG :: 26.884 CD :: 49.921 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 :: 4.599 HB2 :: 2.021 HB3 :: 2.267 HG2 :: 1.797 HG3 :: 2.013 HD2 :: 3.681 HD3 :: 3.681 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.I15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 174.919 CA :: 60.269 CB :: 39.199 CG1 :: 29.491 CG2 :: 16.797 CD1 :: 14.186 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 :: 7.868 HA :: 3.726 HB :: 1.534 HG12 :: .774 HG13 :: 1.590 HG21 :: .880 HG22 :: .880 HG23 :: .880 HD11 :: .920 HD12 :: .920 HD13 :: .920 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 :: 119.258 Ave N Shift Values>> N :: 121.46(4.28) 1.P16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 176.165 CA :: 62.214 CB :: 32.360 CG :: 27.598 CD :: 50.765 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 :: 4.554 HB2 :: 2.040 HB3 :: 2.190 HG2 :: 1.924 HG3 :: 2.237 HD2 :: 3.413 HD3 :: 3.633 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.A17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.92 L 0.03 M 0.03 HN Overlap>> 1.K54 1.K54 C Shift Assignments>> C :: 177.681 CA :: 52.380 CB :: 20.369 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.422 HA :: 4.308 HB1 :: 1.461 HB2 :: 1.461 HB3 :: 1.461 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 117.819 Ave N Shift Values>> N :: 123.23(3.54) 1.N18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.38 N 0.35 L 0.14 F 0.05 Y 0.03 K 0.02 C Shift Assignments>> C :: 175.474 CA :: 51.912 CB :: 40.608 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.372 HA :: 4.952 HB2 :: 3.194 HB3 :: 3.194 HD21 :: 7.165 HD22 :: 7.767 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 :: 108.385 ND2 :: 115.502 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.S19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.F71 1.F71 C Shift Assignments>> C :: 175.228 CA :: 61.823 CB :: 62.523 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.677 HA :: 3.905 HB2 :: 3.887 HB3 :: 3.887 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 114.478 Ave N Shift Values>> N :: 116.28(3.52) 1.F20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.52 F 0.47 C Shift Assignments>> C :: 178.993 CA :: 60.958 CB :: 38.249 CD1 :: 131.849 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 :: 8.016 HA :: 4.355 HB2 :: 3.194 HB3 :: 3.194 HD1 :: 7.298 HD2 :: 7.298 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 :: 124.516 Ave N Shift Values>> N :: 120.45(4.18) 1.Q21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.4 Q 0.37 R 0.1 E 0.05 M 0.05 I 0.01 HN Overlap>> 1.L47 1.L47 C Shift Assignments>> C :: 176.967 CA :: 58.327 CB :: 28.707 CG :: 33.433 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 :: 8.446 HA :: 3.947 HB2 :: 2.065 HB3 :: 2.259 HG2 :: 2.683 HG3 :: 2.683 HE21 :: 6.972 HE22 :: 7.994 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 :: 121.195 NE2 :: 115.169 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.67 R 0.28 G 0.03 C Shift Assignments>> C :: 178.502 CA :: 58.615 CB :: 42.202 CG :: 26.907 CD1 :: 25.952 CD2 :: 26.670 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 :: 7.457 HA :: 4.501 HB2 :: 1.455 HB3 :: 1.698 HG :: 1.634 HD11 :: .251 HD12 :: .251 HD13 :: .251 HD21 :: .707 HD22 :: .707 HD23 :: .707 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 :: 119.904 Ave N Shift Values>> N :: 121.86(3.9) 1.E23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.53 E 0.4 K 0.04 C Shift Assignments>> C :: 179.441 CA :: 60.024 CB :: 29.232 CG :: 37.054 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 :: 8.435 HA :: 3.646 HB2 :: 1.983 HB3 :: 2.157 HG2 :: 2.196 HG3 :: 2.517 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 :: 118.108 Ave N Shift Values>> N :: 120.67(3.48) 1.S24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.073 CA :: 61.698 CB :: 62.734 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.800 HA :: 4.097 HB2 :: 3.892 HB3 :: 3.952 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 114.997 Ave N Shift Values>> N :: 116.28(3.52) 1.D25 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> Y 0.35 F 0.28 I 0.12 E 0.08 N 0.04 D 0.04 L 0.02 M 0.02 C Shift Assignments>> C :: 178.300 CA :: 57.459 CB :: 38.229 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 :: 8.876 HA :: 4.233 HB2 :: 1.694(S) HB3 :: 3.067 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 :: 124.829 Ave N Shift Values>> N :: 120.65(3.86) 1.F26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.54 F 0.45 C Shift Assignments>> C :: 178.780 CA :: 61.393 CB :: 38.408 CD1 :: 130.828 CE1 :: 132.451 CZ :: 128.395 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 :: 8.987 HA :: 3.813 HB2 :: 3.004 HB3 :: 3.441 HD1 :: 7.323 HD2 :: 7.323 HE1 :: 6.822 HE2 :: 6.822 HZ :: 7.153 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 :: 120.574 Ave N Shift Values>> N :: 120.45(4.18) 1.R27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.64 G 0.23 K 0.12 C Shift Assignments>> C :: 179.174 CA :: 60.033 CB :: 30.311 CG :: 28.559 CD :: 43.524 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 :: 7.651 HA :: 4.029 HB2 :: 1.952 HB3 :: 2.083 HG2 :: 1.647 HG3 :: 1.941 HD2 :: 3.217 HD3 :: 3.338 HE :: 7.405 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 117.105 NE :: 84.453 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.Q28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.39 Q 0.38 E 0.08 R 0.07 M 0.04 I 0.01 C Shift Assignments>> C :: 178.108 CA :: 58.194 CB :: 28.927 CG :: 33.668 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 :: 7.956 HA :: 4.110 HB2 :: 2.158 HB3 :: 2.221 HG2 :: 2.356 HG3 :: 2.459 HE21 :: 7.415 HE22 :: 6.849 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 :: 118.768 NE2 :: 111.711 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.75 R 0.08 G 0.08 A 0.07 C Shift Assignments>> C :: 177.404 CA :: 54.948 CB :: 43.125 CG :: 26.373 CD1 :: 25.681 CD2 :: 22.615 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 :: 7.946 HA :: 4.278 HB2 :: 1.304 HB3 :: 1.427 HG :: 1.594 HD11 :: .219 HD12 :: .219 HD13 :: .219 HD21 :: .674 HD22 :: .674 HD23 :: .674 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 :: 116.797 Ave N Shift Values>> N :: 121.86(3.9) 1.K30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.89 R 0.08 G 0.01 HN Overlap>> 1.Q53 1.Q53 C Shift Assignments>> C :: 177.154 CA :: 59.992 CB :: 32.482 CG :: 24.115 CD :: 29.712 CE :: 42.111 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 :: 7.346 HA :: 3.775 HB2 :: 1.883 HB3 :: 2.038 HG2 :: 1.397 HG3 :: 1.531 HD2 :: 1.712 HD3 :: 1.712 HE2 :: 3.006 HE3 :: 3.006 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 :: 119.165 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.S31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.946 CA :: 58.844 CB :: 63.023 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.047 HA :: 4.459 HB2 :: 3.970 HB3 :: 4.060 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 :: 111.072 Ave N Shift Values>> N :: 116.28(3.52) 1.S32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 171.926 CA :: 54.373 CB :: 63.817 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.276 HA :: 5.063 HB2 :: 3.762 HB3 :: 3.910 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 :: 117.461 Ave N Shift Values>> N :: 116.28(3.52) 1.P33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 176.295 CA :: 65.900 CB :: 32.126 CG :: 27.753 CD :: 50.280 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 :: 4.150 HB2 :: 2.310 HB3 :: 2.676 HG2 :: 2.124 HG3 :: 2.315 HD2 :: 3.611 HD3 :: 3.912 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.D34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.3 Y 0.26 L 0.14 D 0.12 K 0.07 I 0.06 N 0.02 C Shift Assignments>> C :: 179.003 CA :: 57.405 CB :: 40.504 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.521 HA :: 4.080 HB2 :: 2.648 HB3 :: 2.739 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 :: 113.711 Ave N Shift Values>> N :: 120.65(3.86) 1.M35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.95 A 0.04 C Shift Assignments>> C :: 179.216 CA :: 57.443 CB :: 32.745 CG :: 32.436 CE :: 16.936 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 7.632 HA :: 4.280 HB2 :: 2.471 HB3 :: 2.695 HG2 :: 1.934 HG3 :: 2.226 HE1 :: 1.945 HE2 :: 1.945 HE3 :: 1.945 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 118.604 Ave N Shift Values>> N :: 120.09(3.57) 1.L36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.98 HN Overlap>> 1.A111 1.A111 C Shift Assignments>> C :: 178.332 CA :: 58.136 CB :: 40.700 CG :: 26.827 CD1 :: 23.736 CD2 :: 25.444 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 :: 8.030 HA :: 3.885 HB2 :: 1.432 HB3 :: 1.642 HG :: 1.311 HD11 :: .246 HD12 :: .246 HD13 :: .246 HD21 :: .448 HD22 :: .448 HD23 :: .448 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 :: 122.056 Ave N Shift Values>> N :: 121.86(3.9) 1.Y37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.96 H 0.03 C Shift Assignments>> C :: 175.602 CA :: 59.628 CB :: 36.515 CD1 :: 134.133 CE1 :: 116.986 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 :: 8.079 HA :: 4.252 HB2 :: 2.059 HB3 :: 2.466 HD1 :: 6.942 HD2 :: 6.942 HE1 :: 6.311 HE2 :: 6.311 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 :: 118.772 Ave N Shift Values>> N :: 120.52(4.2) 1.Q38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.39 Q 0.37 E 0.08 R 0.07 M 0.03 I 0.03 C Shift Assignments>> C :: 178.172 CA :: 58.807 CB :: 28.812 CG :: 33.747 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 :: 7.100 HA :: 3.204 HB2 :: 1.955 HB3 :: 2.003 HG2 :: 2.236 HG3 :: 2.496 HE21 :: 7.196 HE22 :: 6.775 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 :: 116.486 NE2 :: 112.039 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Y39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 HN Overlap>> 1.K106 1.K106 C Shift Assignments>> C :: 177.639 CA :: 61.182 CB :: 39.298 CD1 :: 132.286 CE1 :: 120.591 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 :: 8.623 HA :: 3.955 HB2 :: 2.841 HB3 :: 3.185 HD1 :: 6.820 HD2 :: 6.820 HE1 :: 6.833 HE2 :: 6.833 HH :: 11.426 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 :: 120.192 Ave N Shift Values>> N :: 120.52(4.2) 1.L40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.7 R 0.26 G 0.02 HN Overlap>> 1.L68 1.L68 1.Q86 1.Q86 C Shift Assignments>> C :: 180.646 CA :: 57.853 CB :: 42.483 CG :: 27.433 CD1 :: 26.102 CD2 :: 23.814 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 :: 8.854 HA :: 3.995 HB2 :: 1.735 HB3 :: 2.200 HG :: 1.919 HD11 :: 1.081 HD12 :: 1.081 HD13 :: 1.081 HD21 :: 1.207 HD22 :: 1.207 HD23 :: 1.207 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 :: 122.054 Ave N Shift Values>> N :: 121.86(3.9) 1.K41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.55 R 0.42 A 0.01 HN Overlap>> 1.Q6 1.Q6 C Shift Assignments>> C :: 178.087 CA :: 57.367 CB :: 31.122 CG :: 23.455 CD :: 27.194 CE :: 41.076 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 :: 8.313 HA :: 4.150 HB2 :: 1.468 HB3 :: 1.572 HG2 :: .952 HG3 :: 1.235 HD2 :: 1.033 HD3 :: 1.325 HE2 :: 2.786 HE3 :: 2.786 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 :: 119.256 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Q42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.38 K 0.32 E 0.16 M 0.08 R 0.02 C Shift Assignments>> C :: 175.559 CA :: 56.617 CB :: 29.506 CG :: 34.162 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 :: 7.179 HA :: 4.133 HB2 :: 1.993 HB3 :: 1.993 HG2 :: 2.428 HG3 :: 2.566 HE21 :: 6.802 HE22 :: 7.546 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 114.504 NE2 :: 109.751 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.I43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 174.770 CA :: 60.878 CB :: 38.281 CG1 :: 27.954 CG2 :: 18.491 CD1 :: 13.718 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 :: 7.571 HA :: 3.842 HB :: 2.126 HG12 :: .498 HG13 :: 1.759 HG21 :: .792 HG22 :: .792 HG23 :: .792 HD11 :: .588 HD12 :: .588 HD13 :: .588 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 :: 119.096 Ave N Shift Values>> N :: 121.46(4.28) 1.E44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.63 K 0.16 Q 0.09 I 0.05 M 0.04 C Shift Assignments>> C :: 176.360 CA :: 55.484 CB :: 29.183 CG :: 36.395 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 :: 8.619 HA :: 4.487 HB2 :: 2.021 HB3 :: 2.123 HG2 :: 2.415 HG3 :: 2.415 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 :: 110.765 Ave N Shift Values>> N :: 120.67(3.48) 1.P45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 177.723 CA :: 64.942 CB :: 31.194 CG :: 28.109 CD :: 50.465 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 3.815 HB2 :: 1.625 HB3 :: 1.880 HG2 :: 1.760 HG3 :: 2.118 HD2 :: 3.825 HD3 :: 4.012 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.S46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.900 CA :: 60.562 CB :: 62.338 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.188 HA :: 4.012 HB2 :: 3.949 HB3 :: 3.949 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 :: 109.905 Ave N Shift Values>> N :: 116.28(3.52) 1.L47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.8 R 0.13 G 0.02 A 0.02 HN Overlap>> 1.Q21 1.Q21 C Shift Assignments>> C :: 178.897 CA :: 55.585 CB :: 42.466 CG :: 27.477 CD1 :: 23.280 CD2 :: 25.230 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 :: 8.425 HA :: 4.390 HB2 :: 1.587 HB3 :: 1.954 HG :: 1.773 HD11 :: .896 HD12 :: .896 HD13 :: .896 HD21 :: 1.038 HD22 :: 1.038 HD23 :: 1.038 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 :: 121.227 Ave N Shift Values>> N :: 121.86(3.9) 1.Y48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.85 H 0.14 HN Overlap>> 1.D117 1.D117 C Shift Assignments>> C :: 174.693 CA :: 62.936 CB :: 35.094 CD1 :: 131.055 CE1 :: 117.476 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 :: 8.420 HA :: 4.351 HB2 :: 2.959 HB3 :: 3.610 HD1 :: 6.950 HD2 :: 6.950 HE1 :: 6.662 HE2 :: 6.662 HH :: 8.914 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 :: 121.400 Ave N Shift Values>> N :: 120.52(4.2) 1.P49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 177.980 CA :: 65.601 CB :: 31.056 CG :: 28.099 CD :: 50.021 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 :: 4.272 HB2 :: 1.863 HB3 :: 2.391 HG2 :: 2.077 HG3 :: 2.077 HD2 :: 3.694 HD3 :: 3.870 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.K50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.77 R 0.2 G 0.01 C Shift Assignments>> C :: 178.407 CA :: 57.769 CB :: 32.836 CG :: 25.111 CD :: 29.220 CE :: 42.154 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 :: 7.106 HA :: 4.218 HB2 :: 1.921 HB3 :: 1.921 HG2 :: 1.413 HG3 :: 1.526 HD2 :: 1.694 HD3 :: 1.694 HE2 :: 2.987 HE3 :: 2.987 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 :: 114.836 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.78 R 0.1 G 0.1 A 0.01 HN Overlap>> 1.H115 1.H115 C Shift Assignments>> C :: 177.777 CA :: 57.166 CB :: 43.129 CG :: 26.563 CD1 :: 22.862 CD2 :: 25.239 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 :: 8.039 HA :: 3.895 HB2 :: .653 HB3 :: 1.110 HG :: 1.280 HD11 :: .418 HD12 :: .418 HD13 :: .418 HD21 :: .461 HD22 :: .461 HD23 :: .461 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 :: 119.541 Ave N Shift Values>> N :: 121.86(3.9) 1.F52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.66 Y 0.33 C Shift Assignments>> C :: 175.723 CA :: 56.412 CB :: 38.635 CD1 :: 132.083 CE1 :: 130.291 CZ :: 128.665 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 :: 8.080 HA :: 4.993 HB2 :: 2.978 HB3 :: 3.268 HD1 :: 7.298 HD2 :: 7.298 HE1 :: 6.623 HE2 :: 6.623 HZ :: 6.629 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 116.240 Ave N Shift Values>> N :: 120.45(4.18) 1.Q53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.38 K 0.33 E 0.15 M 0.07 R 0.02 I 0.01 HN Overlap>> 1.K30 1.K30 C Shift Assignments>> C :: 176.839 CA :: 57.999 CB :: 29.574 CG :: 34.053 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 :: 7.440 HA :: 4.216 HB2 :: 2.261 HB3 :: 2.261 HG2 :: 2.422 HG3 :: 2.422 HE21 :: 6.954 HE22 :: 7.686 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 :: 119.154 NE2 :: 112.528 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.K54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.79 R 0.19 G 0.01 HN Overlap>> 1.A17 1.A17 C Shift Assignments>> C :: 175.911 CA :: 56.274 CB :: 33.216 CG :: 25.059 CD :: 29.056 CE :: 42.131 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 :: 8.324 HA :: 4.454 HB2 :: 1.830 HB3 :: 1.946 HG2 :: 1.473 HG3 :: 1.513 HD2 :: 1.701 HD3 :: 1.701 HE2 :: 3.033 HE3 :: 3.033 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 117.783 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.N55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.34 N 0.27 L 0.15 F 0.11 Y 0.09 K 0.01 C Shift Assignments>> C :: 174.237 CA :: 53.960 CB :: 40.137 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.837 HA :: 4.507 HB2 :: 2.634 HB3 :: 2.717 HD21 :: 7.636 HD22 :: 7.027 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 115.659 ND2 :: 113.342 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.38 A 0.33 R 0.2 G 0.07 C Shift Assignments>> C :: 174.013 CA :: 54.066 CB :: 42.810 CG :: 26.790 CD1 :: 21.829 CD2 :: 26.450 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 :: 8.104 HA :: 4.294 HB2 :: 1.178 HB3 :: 1.596 HG :: 1.188 HD11 :: .429 HD12 :: .429 HD13 :: .429 HD21 :: .728 HD22 :: .728 HD23 :: .728 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 124.015 Ave N Shift Values>> N :: 121.86(3.9) 1.D57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 L 0.3 R 0.12 K 0.08 N 0.06 G 0.04 F 0.03 Y 0.02 C Shift Assignments>> C :: 175.412 CA :: 52.152 CB :: 42.526 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 :: 8.817 HA :: 4.760 HB2 :: 2.574 HB3 :: 2.729 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 110.113 Ave N Shift Values>> N :: 120.65(3.86) 1.P58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 177.384 CA :: 65.984 CB :: 32.309 CG :: 27.710 CD :: 51.247 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 :: 4.151 HB2 :: 2.065 HB3 :: 2.432 HG2 :: 1.852 HG3 :: 2.014 HD2 :: 3.769 HD3 :: 3.989 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.D59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.29 Y 0.25 L 0.14 K 0.11 D 0.11 I 0.06 N 0.01 HN Overlap>> 1.F82 1.F82 C Shift Assignments>> C :: 179.654 CA :: 57.637 CB :: 40.738 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 :: 8.171 HA :: 4.628 HB2 :: 2.712 HB3 :: 2.846 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 117.043 Ave N Shift Values>> N :: 120.65(3.86) 1.V60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 177.473 CA :: 66.472 CB :: 31.678 CG1 :: 20.960 CG2 :: 23.223 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 :: 7.867 HA :: 3.640 HB :: 2.227 HG11 :: .508 HG12 :: .508 HG13 :: .508 HG21 :: .914 HG22 :: .914 HG23 :: .914 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 :: 122.221 Ave N Shift Values>> N :: 121.14(4.54) 1.F61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.51 F 0.48 C Shift Assignments>> C :: 175.701 CA :: 61.437 CB :: 38.839 CD1 :: 132.145 CE1 :: 130.495 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 :: 8.183 HA :: 4.000 HB2 :: 2.857 HB3 :: 3.318 HD1 :: 7.215 HD2 :: 7.215 HE1 :: 7.401 HE2 :: 7.401 HZ :: 7.554 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 :: 118.987 Ave N Shift Values>> N :: 120.45(4.18) 1.N62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.29 F 0.24 N 0.15 D 0.08 E 0.08 I 0.05 L 0.04 M 0.02 C Shift Assignments>> C :: 178.707 CA :: 56.232 CB :: 38.213 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 :: 8.504 HA :: 4.131 HB2 :: 2.755 HB3 :: 2.957 HD21 :: 7.434 HD22 :: 6.684 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 116.212 ND2 :: 111.221 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.Q63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.4 Q 0.23 K 0.2 M 0.07 I 0.06 C Shift Assignments>> C :: 178.609 CA :: 58.751 CB :: 29.807 CG :: 35.126 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 :: 8.167 HA :: 4.273 HB2 :: 2.294 HB3 :: 2.505 HG2 :: 2.385 HG3 :: 2.385 HE21 :: 6.981 HE22 :: 7.381 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 :: 120.132 NE2 :: 111.874 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.I64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 177.415 CA :: 67.406 CB :: 37.878 CG1 :: 30.203 CG2 :: 16.871 CD1 :: 13.604 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 :: 8.707 HA :: 3.601 HB :: 2.025 HG12 :: 1.136 HG13 :: 2.297 HG21 :: .877 HG22 :: .877 HG23 :: .877 HD11 :: .818 HD12 :: .818 HD13 :: .818 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 121.231 Ave N Shift Values>> N :: 121.46(4.28) 1.V65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 177.272 CA :: 67.428 CB :: 31.329 CG1 :: 22.035 CG2 :: 21.691 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 :: 7.935 HA :: 3.287 HB :: 1.872 HG11 :: .499 HG12 :: .499 HG13 :: .499 HG21 :: .712 HG22 :: .712 HG23 :: .712 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 :: 117.623 Ave N Shift Values>> N :: 121.14(4.54) 1.K66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.8 R 0.17 G 0.02 HN Overlap>> 1.E127 1.E127 C Shift Assignments>> C :: 178.386 CA :: 60.296 CB :: 32.639 CG :: 25.214 CD :: 29.337 CE :: 42.311 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 :: 7.802 HA :: 3.940 HB2 :: 1.941 HB3 :: 2.099 HG2 :: 1.472 HG3 :: 1.472 HD2 :: 1.710 HD3 :: 1.710 HE2 :: 3.035 HE3 :: 3.035 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 :: 119.408 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> 1.L112 1.L112 C Shift Assignments>> C :: 179.925 CA :: 62.892 CB :: 35.890 CG1 :: 28.025 CG2 :: 18.988 CD1 :: 11.029 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 :: 8.298 HA :: 4.208 HB :: 2.366 HG12 :: 1.429 HG13 :: 1.893 HG21 :: 1.276 HG22 :: 1.276 HG23 :: 1.276 HD11 :: .929 HD12 :: .929 HD13 :: .929 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 :: 120.723 Ave N Shift Values>> N :: 121.46(4.28) 1.L68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.9 R 0.05 A 0.02 G 0.02 HN Overlap>> 1.L40 1.Q86 1.L40 1.Q86 C Shift Assignments>> C :: 178.673 CA :: 57.947 CB :: 41.969 CG :: 26.312 CD1 :: 22.148 CD2 :: 25.131 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 :: 8.847 HA :: 3.908 HB2 :: 1.083 HB3 :: 2.206 HG :: 1.782 HD11 :: .044 HD12 :: .044 HD13 :: .044 HD21 :: .585 HD22 :: .585 HD23 :: .585 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 :: 122.145 Ave N Shift Values>> N :: 121.86(3.9) 1.H69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.99 HN Overlap>> 1.T10 1.T10 C Shift Assignments>> C :: 176.636 CA :: 60.031 CB :: 29.922 CD2 :: 127.277 CE1 :: 139.803 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.126 HA :: 3.895 HB2 :: 2.958 HB3 :: 3.351 HD2 :: 6.750 HE1 :: 7.788 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 :: 116.816 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.D70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.26 Y 0.23 D 0.18 L 0.16 K 0.05 N 0.04 I 0.03 C Shift Assignments>> C :: 176.487 CA :: 56.675 CB :: 40.394 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 :: 9.541 HA :: 4.203 HB2 :: 2.326 HB3 :: 2.789 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 :: 119.155 Ave N Shift Values>> N :: 120.65(3.86) 1.F71 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> Y 0.5 F 0.48 HN Overlap>> 1.S19 1.S19 C Shift Assignments>> C :: 175.719 CA :: 59.794 CB :: 42.019 CD1 :: 131.580 CE1 :: 132.112 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 :: 8.645 HA :: 4.409 HB2 :: 1.704(S) HB3 :: 2.789 HD1 :: 6.920 HD2 :: 6.920 HE1 :: 7.373 HE2 :: 7.373 HZ :: 7.176 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 :: 114.579 Ave N Shift Values>> N :: 120.45(4.18) 1.Y72 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 178.531 CA :: 61.709 CB :: 37.681 CD1 :: 133.537 CE1 :: 118.574 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 :: 7.997 HA :: 4.076 HB2 :: 2.572 HB3 :: 4.150(S) HD1 :: 6.924 HD2 :: 6.924 HE1 :: 6.852 HE2 :: 6.852 HH :: 9.525 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 :: 118.284 Ave N Shift Values>> N :: 120.52(4.2) SRO Rule Breaks>> (HA > HB3 : 0.9965) 1.I73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 177.873 CA :: 66.504 CB :: 36.202 CG1 :: 29.360 CG2 :: 15.066 CD1 :: 13.022 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 :: 7.224 HA :: 2.985 HB :: 1.544 HG12 :: .217 HG13 :: 1.705 HG21 :: .017 HG22 :: .017 HG23 :: .017 HD11 :: .564 HD12 :: .564 HD13 :: .564 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 117.949 Ave N Shift Values>> N :: 121.46(4.28) 1.E74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.66 M 0.16 I 0.08 Q 0.04 K 0.04 C Shift Assignments>> C :: 178.471 CA :: 58.447 CB :: 30.792 CG :: 36.415 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 :: 7.919 HA :: 4.063 HB2 :: 1.869 HB3 :: 1.869 HG2 :: 2.043 HG3 :: 2.230 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 :: 116.167 Ave N Shift Values>> N :: 120.67(3.48) 1.K75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.55 K 0.42 G 0.02 C Shift Assignments>> C :: 176.839 CA :: 57.839 CB :: 35.891 CG :: 25.961 CD :: 29.274 CE :: 42.402 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 :: 7.610 HA :: 4.426 HB2 :: 1.755 HB3 :: 2.043 HG2 :: 1.446 HG3 :: 1.446 HD2 :: 1.570 HD3 :: 1.735 HE2 :: 2.995 HE3 :: 3.138 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 :: 114.321 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E76 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> M 0.67 Q 0.22 E 0.07 K 0.01 HN Overlap>> 1.R110 1.R110 C Shift Assignments>> C :: 175.677 CA :: 53.215 CB :: 31.801 CG :: 34.323 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 :: 8.568 HA :: 4.871 HB2 :: 1.740 HB3 :: 2.253 HG2 :: 1.245(S) HG3 :: 1.729 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 :: 116.963 Ave N Shift Values>> N :: 120.67(3.48) 1.K77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.75 R 0.22 G 0.01 C Shift Assignments>> C :: 176.745 CA :: 54.559 CB :: 32.281 CG :: 25.287 CD :: 29.220 CE :: 42.256 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 :: 9.147 HA :: 4.689 HB2 :: 1.901 HB3 :: 2.117 HG2 :: 1.664 HG3 :: 1.749 HD2 :: 1.812 HD3 :: 1.909 HE2 :: 3.094 HE3 :: 3.094 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 :: 121.895 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.P78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 177.818 CA :: 65.751 CB :: 32.033 CG :: 27.915 CD :: 50.621 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 :: 4.211 HB2 :: 2.015 HB3 :: 2.091 HG2 :: 2.126 HG3 :: 2.302 HD2 :: 4.047 HD3 :: 4.140 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.L79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.86 R 0.1 G 0.02 C Shift Assignments>> C :: 178.257 CA :: 57.922 CB :: 42.286 CG :: 27.209 CD1 :: 25.294 CD2 :: 23.941 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 :: 8.317 HA :: 4.139 HB2 :: 1.677 HB3 :: 1.677 HG :: 1.791 HD11 :: .951 HD12 :: .951 HD13 :: .951 HD21 :: 1.033 HD22 :: 1.033 HD23 :: 1.033 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 115.375 Ave N Shift Values>> N :: 121.86(3.9) 1.L80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.7 R 0.26 G 0.01 C Shift Assignments>> C :: 178.065 CA :: 57.644 CB :: 41.865 CG :: 27.395 CD1 :: 26.887 CD2 :: 22.880 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 :: 7.316 HA :: 4.509 HB2 :: 1.739 HB3 :: 2.314 HG :: 1.817 HD11 :: 1.173 HD12 :: 1.173 HD13 :: 1.173 HD21 :: 1.175 HD22 :: 1.175 HD23 :: 1.175 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 :: 120.249 Ave N Shift Values>> N :: 121.86(3.9) 1.I81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 177.048 CA :: 66.176 CB :: 38.195 CG1 :: 29.843 CG2 :: 18.201 CD1 :: 14.086 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 :: 7.180 HA :: 3.422 HB :: 2.200 HG12 :: .912 HG13 :: 2.071 HG21 :: .816 HG22 :: .816 HG23 :: .816 HD11 :: .846 HD12 :: .846 HD13 :: .846 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 :: 116.162 Ave N Shift Values>> N :: 121.46(4.28) 1.F82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.57 Y 0.42 HN Overlap>> 1.D59 1.D59 C Shift Assignments>> C :: 175.469 CA :: 61.736 CB :: 39.245 CD1 :: 131.345 CE1 :: 131.053 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 :: 8.152 HA :: 3.843 HB2 :: 2.934 HB3 :: 3.294 HD1 :: 7.084 HD2 :: 7.084 HE1 :: 7.253 HE2 :: 7.253 HZ :: 7.168 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 :: 117.129 Ave N Shift Values>> N :: 120.45(4.18) 1.E83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.54 I 0.33 K 0.06 M 0.02 Q 0.02 C Shift Assignments>> C :: 179.035 CA :: 59.815 CB :: 29.722 CG :: 36.555 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 :: 8.578 HA :: 3.785 HB2 :: 2.088 HB3 :: 2.319 HG2 :: 2.100 HG3 :: 2.509 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.177 Ave N Shift Values>> N :: 120.67(3.48) 1.I84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 177.521 CA :: 66.520 CB :: 37.806 CG1 :: 30.375 CG2 :: 17.414 CD1 :: 14.695 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 :: 8.145 HA :: 3.275 HB :: 1.806 HG12 :: .986 HG13 :: 1.778 HG21 :: .894 HG22 :: .894 HG23 :: .894 HD11 :: .909 HD12 :: .909 HD13 :: .909 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 :: 119.594 Ave N Shift Values>> N :: 121.46(4.28) 1.L85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.81 A 0.13 R 0.04 C Shift Assignments>> C :: 181.927 CA :: 57.307 CB :: 41.328 CG :: 26.222 CD1 :: 26.077 CD2 :: 20.938 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 :: 8.131 HA :: 4.231 HB2 :: 1.115 HB3 :: 1.748 HG :: 1.709 HD11 :: .056 HD12 :: .056 HD13 :: .056 HD21 :: .531 HD22 :: .531 HD23 :: .531 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 :: 117.844 Ave N Shift Values>> N :: 121.86(3.9) 1.Q86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.37 K 0.36 R 0.1 E 0.08 I 0.04 M 0.02 HN Overlap>> 1.L68 1.L40 1.L68 1.L40 C Shift Assignments>> C :: 179.341 CA :: 59.055 CB :: 28.274 CG :: 33.840 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 :: 8.897 HA :: 3.814 HB2 :: 1.594 HB3 :: 1.903 HG2 :: 1.926 HG3 :: 2.005 HE21 :: 7.435 HE22 :: 6.657 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 :: 122.052 NE2 :: 112.285 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.R87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.69 K 0.15 G 0.14 C Shift Assignments>> C :: 180.878 CA :: 58.628 CB :: 31.066 CG :: 26.047 CD :: 43.474 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 :: 8.771 HA :: 3.939 HB2 :: 1.608 HB3 :: 1.979 HG2 :: 1.520 HG3 :: 1.928 HD2 :: 2.973 HD3 :: 3.092 HE :: 7.639 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 120.903 NE :: 85.314 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.L88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.88 R 0.09 G 0.01 C Shift Assignments>> C :: 177.340 CA :: 58.128 CB :: 41.909 CG :: 26.857 CD1 :: 23.203 CD2 :: 25.640 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 :: 8.661 HA :: 3.973 HB2 :: 1.437 HB3 :: 2.207 HG :: 2.166 HD11 :: .853 HD12 :: .853 HD13 :: .853 HD21 :: 1.062 HD22 :: 1.062 HD23 :: 1.062 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 118.023 Ave N Shift Values>> N :: 121.86(3.9) 1.S89 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.248 CA :: 58.859 CB :: 63.259 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 6.728 HA :: 1.474(A) HB2 :: 3.085 HB3 :: 3.349 HG :: 6.083 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 110.103 Ave N Shift Values>> N :: 116.28(3.52) 1.E90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.58 M 0.14 K 0.12 Q 0.12 I 0.02 C Shift Assignments>> C :: 177.052 CA :: 55.610 CB :: 30.043 CG :: 36.087 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 :: 6.946 HA :: 4.252 HB2 :: 1.975 HB3 :: 2.202 HG2 :: 2.148 HG3 :: 2.395 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 :: 120.543 Ave N Shift Values>> N :: 120.67(3.48) 1.L91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.57 A 0.26 L 0.12 G 0.03 C Shift Assignments>> C :: 178.119 CA :: 54.307 CB :: 42.251 CG :: 26.002 CD1 :: 22.371 CD2 :: 28.559 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 :: 7.351 HA :: 4.430 HB2 :: 1.571 HB3 :: 1.936 HG :: 2.303 HD11 :: .951 HD12 :: .951 HD13 :: .951 HD21 :: .853 HD22 :: .853 HD23 :: .853 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 :: 120.409 Ave N Shift Values>> N :: 121.86(3.9) 1.K92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.73 R 0.24 G 0.01 C Shift Assignments>> C :: 177.329 CA :: 58.393 CB :: 32.482 CG :: 25.332 CD :: 29.182 CE :: 42.266 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 :: 9.041 HA :: 4.104 HB2 :: 1.847 HB3 :: 1.847 HG2 :: 1.573 HG3 :: 1.657 HD2 :: 1.786 HD3 :: 1.786 HE2 :: 3.099 HE3 :: 3.099 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 123.850 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.R93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.21 Q 0.21 H 0.16 E 0.15 R 0.11 L 0.05 I 0.05 M 0.02 C Shift Assignments>> C :: 177.323 CA :: 57.080 CB :: 28.486 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 :: 8.789 HA :: 4.225 HB2 :: 1.715 HB3 :: 1.715 HD2 :: 3.238 HD3 :: 3.238 HE :: 7.499 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 :: 114.685 NE :: 84.870 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.F94 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> Y 0.5 F 0.49 C Shift Assignments>> C :: 175.431 CA :: 61.585 CB :: 39.507 CZ :: 129.270 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 :: 7.855 HA :: 3.714 HB2 :: 2.764 HB3 :: 3.275 HD1 :: 6.647 HD2 :: 6.647 HE1 :: 6.789 HE2 :: 6.789 HZ :: 5.379(S) Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 123.194 Ave N Shift Values>> N :: 120.45(4.18) 1.D95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.33 F 0.3 D 0.1 I 0.08 N 0.07 L 0.06 E 0.01 C Shift Assignments>> C :: 178.772 CA :: 56.930 CB :: 39.040 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 :: 8.704 HA :: 3.790 HB2 :: 2.543 HB3 :: 2.702 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 :: 116.646 Ave N Shift Values>> N :: 120.65(3.86) 1.M96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.94 A 0.05 C Shift Assignments>> C :: 176.785 CA :: 57.380 CB :: 32.224 CG :: 32.323 CE :: 16.990 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 7.436 HA :: 4.058 HB2 :: 2.430 HB3 :: 2.567 HG2 :: 1.970 HG3 :: 1.970 HE1 :: 1.946 HE2 :: 1.946 HE3 :: 1.946 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 119.569 Ave N Shift Values>> N :: 120.09(3.57) 1.A97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.78 A 0.17 I 0.03 C Shift Assignments>> C :: 179.936 CA :: 55.249 CB :: 16.222 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.185 HA :: 3.832 HB1 :: .805 HB2 :: .805 HB3 :: .805 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.377 Ave N Shift Values>> N :: 123.23(3.54) 1.V98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 179.154 CA :: 65.523 CB :: 31.811 CG1 :: 22.852 CG2 :: 20.627 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 :: 7.405 HA :: 3.495 HB :: 1.481 HG11 :: .062 HG12 :: .062 HG13 :: .062 HG21 :: .619 HG22 :: .619 HG23 :: .619 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 :: 116.402 Ave N Shift Values>> N :: 121.14(4.54) 1.M99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.96 A 0.03 C Shift Assignments>> C :: 177.317 CA :: 58.074 CB :: 32.330 CG :: 31.691 CE :: 17.377 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 7.452 HA :: 4.017 HB2 :: 1.872 HB3 :: 2.005 HG2 :: 2.284 HG3 :: 2.372 HE1 :: 2.053 HE2 :: 2.053 HE3 :: 2.053 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 118.935 Ave N Shift Values>> N :: 120.09(3.57) 1.F100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.5 F 0.49 C Shift Assignments>> C :: 176.052 CA :: 57.377 CB :: 39.035 CD1 :: 131.299 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 :: 7.451 HA :: 4.653 HB2 :: 2.901 HB3 :: 3.528 HD1 :: 7.333 HD2 :: 7.333 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 :: 115.809 Ave N Shift Values>> N :: 120.45(4.18) 1.M101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.93 I 0.04 A 0.02 C Shift Assignments>> C :: 176.541 CA :: 58.526 CB :: 36.047 CG :: 32.544 CE :: 17.167 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 7.458 HA :: 4.388 HB2 :: 2.235 HB3 :: 2.331 HG2 :: 2.753 HG3 :: 3.403 HE1 :: 2.281 HE2 :: 2.281 HE3 :: 2.281 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 121.062 Ave N Shift Values>> N :: 120.09(3.57) 1.S102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.96 T 0.03 C Shift Assignments>> C :: 175.172 CA :: 56.981 CB :: 65.955 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.539 HA :: 4.768 HB2 :: 4.150 HB3 :: 4.471 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 121.058 Ave N Shift Values>> N :: 116.28(3.52) 1.E103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.47 I 0.34 K 0.11 Q 0.05 M 0.01 C Shift Assignments>> C :: 179.003 CA :: 60.037 CB :: 29.232 CG :: 36.073 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 :: 9.134 HA :: 4.107 HB2 :: 2.131 HB3 :: 2.172 HG2 :: 2.417 HG3 :: 2.417 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 :: 120.578 Ave N Shift Values>> N :: 120.67(3.48) 1.T104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 176.363 CA :: 66.696 CB :: 68.582 CG2 :: 21.908 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 :: 8.130 HA :: 3.880 HB :: 4.012 HG21 :: 1.199 HG22 :: 1.199 HG23 :: 1.199 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 115.057 Ave N Shift Values>> N :: 115.42(4.75) 1.E105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.79 E 0.18 K 0.01 C Shift Assignments>> C :: 179.074 CA :: 60.650 CB :: 28.958 CG :: 37.721 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 :: 7.464 HA :: 3.905 HB2 :: 2.114 HB3 :: 2.389 HG2 :: 2.069 HG3 :: 2.569 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 :: 121.781 Ave N Shift Values>> N :: 120.67(3.48) 1.K106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.51 R 0.46 G 0.02 HN Overlap>> 1.Y39 1.N114 1.Y39 1.N114 C Shift Assignments>> C :: 179.198 CA :: 60.191 CB :: 32.639 CG :: 26.493 CD :: 29.728 CE :: 42.182 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 :: 8.704 HA :: 4.109 HB2 :: 1.944 HB3 :: 1.944 HG2 :: 1.564 HG3 :: 1.692 HD2 :: 1.717 HD3 :: 1.717 HE2 :: 2.979 HE3 :: 2.979 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.261 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.73 R 0.24 G 0.02 C Shift Assignments>> C :: 179.758 CA :: 60.248 CB :: 32.575 CG :: 25.560 CD :: 29.617 CE :: 42.222 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 :: 7.972 HA :: 3.984 HB2 :: 1.981 HB3 :: 1.981 HG2 :: 1.435 HG3 :: 1.711 HD2 :: 1.720 HD3 :: 1.720 HE2 :: 2.985 HE3 :: 2.985 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 :: 119.756 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 177.572 CA :: 64.562 CB :: 37.266 CG1 :: 28.330 CG2 :: 18.301 CD1 :: 12.415 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 :: 7.566 HA :: 3.516 HB :: 1.857 HG12 :: .641 HG13 :: 1.527 HG21 :: .628 HG22 :: .628 HG23 :: .628 HD11 :: .551 HD12 :: .551 HD13 :: .551 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 121.396 Ave N Shift Values>> N :: 121.46(4.28) 1.A109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.75 A 0.16 I 0.07 C Shift Assignments>> C :: 179.497 CA :: 55.968 CB :: 17.144 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.080 HA :: 3.963 HB1 :: 1.651 HB2 :: 1.651 HB3 :: 1.651 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.656 Ave N Shift Values>> N :: 123.23(3.54) 1.R110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.67 G 0.27 K 0.04 HN Overlap>> 1.E76 1.E76 C Shift Assignments>> C :: 179.167 CA :: 60.030 CB :: 30.277 CG :: 27.906 CD :: 43.772 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 :: 8.511 HA :: 4.227 HB2 :: 1.977 HB3 :: 2.026 HG2 :: 1.753 HG3 :: 1.953 HD2 :: 3.213 HD3 :: 3.348 HE :: 7.568 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 116.968 NE :: 85.224 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.A111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.5 A 0.45 I 0.03 HN Overlap>> 1.L36 1.L36 C Shift Assignments>> C :: 181.864 CA :: 55.138 CB :: 18.399 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.029 HA :: 4.368 HB1 :: 1.810 HB2 :: 1.810 HB3 :: 1.810 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.060 Ave N Shift Values>> N :: 123.23(3.54) 1.L112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.53 R 0.4 K 0.04 G 0.02 HN Overlap>> 1.I67 1.I67 C Shift Assignments>> C :: 178.896 CA :: 58.497 CB :: 41.997 CG :: 27.152 CD1 :: 24.143 CD2 :: 27.386 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 :: 8.276 HA :: 4.029 HB2 :: .969 HB3 :: 2.110 HG :: 1.859 HD11 :: .749 HD12 :: .749 HD13 :: .749 HD21 :: .932 HD22 :: .932 HD23 :: .932 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 :: 120.738 Ave N Shift Values>> N :: 121.86(3.9) 1.F113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.5 F 0.49 C Shift Assignments>> C :: 178.373 CA :: 63.863 CB :: 38.495 CD1 :: 131.634 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 :: 8.057 HA :: 4.087 HB2 :: 3.004 HB3 :: 3.138 HD1 :: 7.333 HD2 :: 7.333 HE1 :: 6.851 HE2 :: 6.851 HZ :: 6.644 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 116.980 Ave N Shift Values>> N :: 120.45(4.18) 1.N114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.3 F 0.25 N 0.13 D 0.08 E 0.08 I 0.06 L 0.04 M 0.02 HN Overlap>> 1.K106 1.K106 C Shift Assignments>> C :: 177.119 CA :: 56.406 CB :: 38.244 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 :: 8.784 HA :: 4.624 HB2 :: 2.968 HB3 :: 2.968 HD21 :: 7.001 HD22 :: 7.856 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 120.240 ND2 :: 112.368 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.H115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.99 HN Overlap>> 1.L51 1.L51 C Shift Assignments>> C :: 178.514 CA :: 59.940 CB :: 30.946 CD2 :: 115.603 CE1 :: 140.030 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 :: 7.999 HA :: 4.489 HB2 :: 3.154 HB3 :: 3.392 HD2 :: 6.513 HE1 :: 7.800 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 :: 119.602 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.I116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 177.785 CA :: 65.996 CB :: 37.871 CG1 :: 28.742 CG2 :: 18.858 CD1 :: 13.329 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 :: 8.249 HA :: 3.423 HB :: 2.078 HG12 :: 1.223 HG13 :: 1.708 HG21 :: 1.016 HG22 :: 1.016 HG23 :: 1.016 HD11 :: .655 HD12 :: .655 HD13 :: .655 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 :: 119.911 Ave N Shift Values>> N :: 121.46(4.28) 1.D117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.27 F 0.18 L 0.17 Y 0.13 R 0.1 D 0.07 I 0.02 HN Overlap>> 1.Y48 1.Y48 C Shift Assignments>> C :: 179.311 CA :: 57.745 CB :: 41.948 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 :: 8.318 HA :: 4.423 HB2 :: 2.808 HB3 :: 2.949 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 :: 121.436 Ave N Shift Values>> N :: 120.65(3.86) 1.K118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.75 R 0.23 G 0.01 C Shift Assignments>> C :: 178.256 CA :: 58.129 CB :: 32.078 CG :: 24.901 CD :: 29.165 CE :: 42.157 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 :: 8.169 HA :: 4.147 HB2 :: 1.960 HB3 :: 1.960 HG2 :: 1.568 HG3 :: 1.608 HD2 :: 1.717 HD3 :: 1.717 HE2 :: 3.042 HE3 :: 3.042 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 :: 119.754 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.S119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.070 CA :: 59.801 CB :: 63.477 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.717 HA :: 4.329 HB2 :: 3.828 HB3 :: 3.828 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 :: 113.845 Ave N Shift Values>> N :: 116.28(3.52) 1.G120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.89 L 0.08 C Shift Assignments>> C :: 174.269 CA :: 45.588 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.970 HA2 :: 3.696 HA3 :: 4.213 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.582 Ave N Shift Values>> N :: 109.67(3.87) 1.L121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.97 A 0.01 C Shift Assignments>> C :: 175.410 CA :: 55.013 CB :: 40.326 CG :: 27.338 CD1 :: 24.035 CD2 :: 25.251 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 :: 7.609 HA :: 4.346 HB2 :: 1.238 HB3 :: 1.497 HG :: 1.400 HD11 :: .589 HD12 :: .589 HD13 :: .589 HD21 :: .670 HD22 :: .670 HD23 :: .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 :: 122.904 Ave N Shift Values>> N :: 121.86(3.9) 1.K122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.82 R 0.15 G 0.01 C Shift Assignments>> C :: 175.900 CA :: 55.660 CB :: 33.301 CG :: 24.383 CD :: 29.129 CE :: 42.147 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 :: 8.090 HA :: 4.355 HB2 :: 1.665 HB3 :: 1.875 HG2 :: 1.351 HG3 :: 1.351 HD2 :: 1.655 HD3 :: 1.655 HE2 :: 2.978 HE3 :: 2.978 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 123.039 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.29 D 0.21 K 0.18 R 0.13 F 0.08 Y 0.05 N 0.02 C Shift Assignments>> C :: 177.063 CA :: 55.011 CB :: 42.243 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 :: 7.931 HA :: 4.586 HB2 :: 2.689 HB3 :: 2.830 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 :: 121.564 Ave N Shift Values>> N :: 120.65(3.86) 1.S124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.035 CA :: 61.223 CB :: 62.729 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.773 HA :: 4.285 HB2 :: 3.882 HB3 :: 3.950 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 :: 117.790 Ave N Shift Values>> N :: 116.28(3.52) 1.S125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.020 CA :: 60.980 CB :: 62.643 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.553 HA :: 4.457 HB2 :: 4.073 HB3 :: 4.073 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 118.980 Ave N Shift Values>> N :: 116.28(3.52) 1.V126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 177.287 CA :: 66.830 CB :: 31.450 CG1 :: 22.172 CG2 :: 22.081 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 :: 7.939 HA :: 3.889 HB :: 2.284 HG11 :: .704 HG12 :: .704 HG13 :: .704 HG21 :: 1.128 HG22 :: 1.128 HG23 :: 1.128 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 125.250 Ave N Shift Values>> N :: 121.14(4.54) 1.E127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.5 I 0.23 K 0.14 Q 0.09 M 0.02 HN Overlap>> 1.K66 1.K66 C Shift Assignments>> C :: 179.263 CA :: 59.491 CB :: 29.316 CG :: 35.909 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 :: 7.823 HA :: 3.934 HB2 :: 2.091 HB3 :: 2.138 HG2 :: 2.321 HG3 :: 2.321 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.421 Ave N Shift Values>> N :: 120.67(3.48) 1.E128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.56 I 0.2 K 0.12 Q 0.06 M 0.03 C Shift Assignments>> C :: 179.012 CA :: 59.075 CB :: 29.530 CG :: 36.175 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 :: 8.037 HA :: 4.057 HB2 :: 2.117 HB3 :: 2.117 HG2 :: 2.377 HG3 :: 2.377 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 :: 117.948 Ave N Shift Values>> N :: 120.67(3.48) 1.L129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.73 R 0.24 G 0.01 K 0.01 C Shift Assignments>> C :: 178.727 CA :: 57.750 CB :: 42.038 CG :: 26.759 CD1 :: 27.095 CD2 :: 24.581 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 :: 7.853 HA :: 4.273 HB2 :: 1.919 HB3 :: 2.282 HG :: 2.050 HD11 :: .843 HD12 :: .843 HD13 :: .843 HD21 :: 1.151 HD22 :: 1.151 HD23 :: 1.151 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 :: 121.857 Ave N Shift Values>> N :: 121.86(3.9) 1.K130 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.83 R 0.15 C Shift Assignments>> C :: 179.998 CA :: 59.851 CB :: 32.442 CG :: 25.231 CD :: 29.899 CE :: 41.829 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 :: 8.488 HA :: 2.615(S) HB2 :: 1.414 HB3 :: 1.646 HG2 :: .723 HG3 :: .847 HD2 :: 1.579 HD3 :: 1.579 HE2 :: 2.792 HE3 :: 2.792 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 :: 119.999 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) SRO Rule Breaks>> (HA > HE2 : 0.9935) (HA > HE3 : 0.9935) 1.K131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.79 R 0.19 G 0.01 C Shift Assignments>> C :: 180.585 CA :: 59.046 CB :: 32.037 CG :: 25.123 CD :: 29.295 CE :: 42.216 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 :: 7.429 HA :: 4.057 HB2 :: 1.973 HB3 :: 1.973 HG2 :: 1.482 HG3 :: 1.637 HD2 :: 1.716 HD3 :: 1.716 HE2 :: 2.968 HE3 :: 2.968 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 117.479 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.R132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.79 K 0.11 G 0.07 L 0.02 C Shift Assignments>> C :: 177.341 CA :: 58.548 CB :: 29.420 CG :: 27.719 CD :: 42.985 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 :: 7.949 HA :: 4.261 HB2 :: 2.137 HB3 :: 2.384 HG2 :: 1.903 HG3 :: 2.083 HD2 :: 3.258 HD3 :: 3.258 HE :: 7.577 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 120.572 NE :: 83.998 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.Y133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 175.146 CA :: 60.007 CB :: 39.380 CD1 :: 131.110 CE1 :: 118.124 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 :: 7.656 HA :: 4.317 HB2 :: 2.921 HB3 :: 3.405 HD1 :: 6.796 HD2 :: 6.796 HE1 :: 6.830 HE2 :: 6.830 HH :: 9.253 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 :: 115.648 Ave N Shift Values>> N :: 120.52(4.2) 1.G134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.91 L 0.07 C Shift Assignments>> C :: 174.630 CA :: 45.967 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.696 HA2 :: 3.818 HA3 :: 4.116 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.478 Ave N Shift Values>> N :: 109.67(3.87) 1.G135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.91 L 0.07 C Shift Assignments>> C :: 178.332 CA :: 45.967 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.059 HA2 :: 3.419 HA3 :: 3.805 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 114.351 Ave N Shift Values>> N :: 109.67(3.87) ########################################################################### Overall Results: #Consistent: 128 #Clerical: 0 #Suspicious: 6 #Anomalous: 1 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 134 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 1 Shift Relative Order (SRO) Results: #Consistent: 133 #Suspicious: 2 C Shift Results: #Consistent: 615 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent:1034 #Duplicate: 0 #Unknown: 0 #Suspicious: 6 #Anomalous: 1 N Shift Results: #Consistent: 142 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.D25 HB2 = 1.694(S), Expected = 2.72, Std = 0.2600, ChiSquare = 7.9417e-05 1.F71 HB2 = 1.704(S), Expected = 3.00, Std = 0.3700, ChiSquare = 4.6056e-04 1.Y72 HB3 = 4.150(S), Expected = 2.84, Std = 0.3900, ChiSquare = 7.8232e-04 1.Y72 SRO Rule Break>> HA > HB3 : 0.996503496503496 1.E76 HG2 = 1.245(S), Expected = 2.27, Std = 0.2100, ChiSquare = 1.0557e-06 1.S89 HA = 1.474(A), Expected = 4.48, Std = 0.4000, ChiSquare = 5.6911e-14 1.F94 HZ = 5.379(S), Expected = 7.00, Std = 0.4200, ChiSquare = 1.1361e-04 1.K130 HA = 2.615(S), Expected = 4.27, Std = 0.4400, ChiSquare = 1.6899e-04 1.K130 SRO Rule Break>> HA > HE2 : 0.99351606248158 1.K130 SRO Rule Break>> HA > HE3 : 0.993548387096774