Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.85 L 0.08 C 0.02 C Shift Assignments>> C :: 173.680 CA :: 45.386 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.594 HA2 :: 3.960 HA3 :: 3.960 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.712 Ave N Shift Values>> N :: 109.67(3.87) 1.N4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.49 D 0.17 C 0.09 Y 0.08 F 0.08 L 0.04 HN Overlap>> 1.N20 1.Q103 1.D35 1.D45 1.N20 1.Q103 1.D35 1.D45 C Shift Assignments>> C :: 175.024 CA :: 53.420 CB :: 38.753 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 :: 8.330 HA :: 4.660 HB2 :: 2.716 HB3 :: 2.786 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 118.736 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.S5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.883 CA :: 58.170 CB :: 63.896 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.291 HA :: 4.438 HB2 :: 3.834 HB3 :: 3.834 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 116.188 Ave N Shift Values>> N :: 116.28(3.52) 1.Q6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.35 K 0.28 C 0.21 M 0.07 R 0.04 E 0.03 HN Overlap>> 1.M42 1.M42 C Shift Assignments>> CA :: 53.836 CB :: 29.175 CG :: 33.595 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 :: 8.361 HA :: 4.589 HB2 :: 2.035 HB3 :: 1.867 HG2 :: 2.315 HG3 :: 2.315 HE21 :: 7.464 HE22 :: 6.833 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 :: 122.886 NE2 :: 112.013 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.P7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.6 C 0.39 C Shift Assignments>> CA :: 63.100 CB :: 33.838 CG :: 27.549 CD :: 50.749 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.420 HB2 :: 2.305 HB3 :: 2.305 HG2 :: 1.863 HG3 :: 1.926 HD2 :: 3.440 HD3 :: 3.779 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.I8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> I 0.76 C 0.23 C Shift Assignments>> CA :: 63.077 CB :: 37.947 CG1 :: 28.572 CG2 :: 17.166 CD1 :: 14.169 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>> HA :: 3.928 HB :: 1.694 HG12 :: 0.891 HG13 :: 0.934 HG21 :: 0.497 HG22 :: 0.497 HG23 :: 0.497 HD11 :: 0.559 HD12 :: 0.559 HD13 :: 0.559 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) 1.W9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> W 0.54 C 0.45 C Shift Assignments>> CA :: 57.917 CB :: 29.132 CD1 :: 127.188 CE3 :: 119.846 CZ2 :: 114.062 CZ3 :: 121.562 CH2 :: 124.221 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> HA :: 4.285 HB2 :: 3.156 HB3 :: 3.070 HD1 :: 7.031 HE1 :: 9.652 HE3 :: 7.373 HZ2 :: 7.316 HZ3 :: 6.963 HH2 :: 7.039 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) 1.T10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.23 V 0.2 T 0.17 S 0.17 I 0.14 C 0.03 F 0.01 Y 0.01 C Shift Assignments>> CA :: 63.181 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.419 HA :: 4.236 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 107.750 Ave N Shift Values>> N :: 115.42(4.75) 1.N11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.24 Y 0.21 I 0.14 N 0.13 D 0.13 C 0.05 L 0.04 C Shift Assignments>> CB :: 39.800 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 :: 7.701 HA :: 5.175 HB2 :: 3.073 HB3 :: 2.669 HD21 :: 7.758 HD22 :: 7.077 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 119.554 ND2 :: 113.640 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.P12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.85 C 0.14 C Shift Assignments>> CA :: 65.278 CB :: 32.466 CG :: 27.715 CD :: 50.792 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.079 HB2 :: 2.299 HB3 :: 2.042 HG2 :: 2.202 HG3 :: 1.967 HD2 :: 3.723 HD3 :: 4.038 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.N13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.25 F 0.2 C 0.19 N 0.09 E 0.06 D 0.06 I 0.05 L 0.03 M 0.02 HN Overlap>> 1.S107 1.S107 C Shift Assignments>> C :: 177.744 CA :: 56.539 CB :: 38.222 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 :: 8.082 HA :: 4.385 HB2 :: 2.773 HB3 :: 2.773 HD21 :: 7.670 HD22 :: 6.965 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 :: 114.928 ND2 :: 113.218 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.A14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.54 M 0.39 C 0.02 I 0.01 C Shift Assignments>> C :: 178.964 CA :: 54.623 CB :: 18.502 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.663 HA :: 4.100 HB1 :: 1.339 HB2 :: 1.339 HB3 :: 1.339 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.796 Ave N Shift Values>> N :: 123.23(3.54) 1.A15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.7 A 0.22 I 0.05 C 0.01 C Shift Assignments>> CA :: 55.448 CB :: 17.173 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.867 HA :: 3.337 HB1 :: 0.748 HB2 :: 0.748 HB3 :: 0.748 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.002 Ave N Shift Values>> N :: 123.23(3.54) 1.M16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 M 0.42 HN Overlap>> 1.D126 1.D126 C Shift Assignments>> CA :: 59.260 CB :: 33.585 CG :: 32.187 CE :: 17.180 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 :: 8.168 HA :: 3.984 HB2 :: 2.160 HB3 :: 2.120 HG2 :: 2.570 HG3 :: 2.494 HE1 :: 2.047 HE2 :: 2.047 HE3 :: 2.047 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 :: 119.113 Ave N Shift Values>> N :: 120.09(3.57) 1.T17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.91 C 0.08 C Shift Assignments>> CA :: 67.073 CB :: 66.818 CG2 :: 21.530 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 :: 8.128 HA :: 4.177 HB :: 3.953 HG21 :: 1.201 HG22 :: 1.201 HG23 :: 1.201 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 117.768 Ave N Shift Values>> N :: 115.42(4.75) 1.M18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.74 M 0.24 HN Overlap>> 1.L90 1.L90 C Shift Assignments>> CA :: 59.822 CB :: 31.631 CG :: 31.657 CE :: 19.125 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 :: 8.533 HA :: 3.751 HB2 :: 1.781 HB3 :: 1.684 HG2 :: 2.143 HG3 :: 2.244 HE1 :: 2.284 HE2 :: 2.284 HE3 :: 2.284 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 :: 121.262 Ave N Shift Values>> N :: 120.09(3.57) 1.T19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.98 C 0.01 C Shift Assignments>> CA :: 68.295 CB :: 69.635 CG2 :: 21.529 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.988 HA :: 3.570 HB :: 4.237 HG1 :: 4.355 HG21 :: 1.148 HG22 :: 1.148 HG23 :: 1.148 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 :: 115.934 Ave N Shift Values>> N :: 115.42(4.75) 1.N20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.26 F 0.21 C 0.19 N 0.07 E 0.06 I 0.06 D 0.05 L 0.02 M 0.02 HN Overlap>> 1.N4 1.N4 1.D35 1.D35 C Shift Assignments>> CA :: 56.747 CB :: 38.236 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 :: 8.228 HA :: 4.385 HB2 :: 2.816 HB3 :: 2.708 HD21 :: 7.488 HD22 :: 7.320 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 118.717 ND2 :: 113.232 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.N21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.22 C 0.21 F 0.16 E 0.13 N 0.08 I 0.05 M 0.03 D 0.03 L 0.01 C Shift Assignments>> C :: 175.556 CA :: 56.531 CB :: 37.719 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 :: 8.450 HA :: 4.348 HB2 :: 2.943 HB3 :: 2.812 HD21 :: 7.352 HD22 :: 6.899 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 119.958 ND2 :: 110.274 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.6 L 0.28 R 0.08 K 0.01 C Shift Assignments>> C :: 177.948 CA :: 59.288 CB :: 41.478 CG :: 27.594 CD1 :: 27.008 CD2 :: 23.842 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 :: 8.736 HA :: 3.860 HB2 :: 2.287 HB3 :: 1.681 HG :: 1.392 HD11 :: 0.907 HD12 :: 0.907 HD13 :: 0.907 HD21 :: 0.828 HD22 :: 0.828 HD23 :: 0.828 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 :: 124.346 Ave N Shift Values>> N :: 121.86(3.9) 1.V23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.87 C 0.12 HN Overlap>> 1.M122 1.M122 C Shift Assignments>> CA :: 67.709 CB :: 31.657 CG1 :: 23.973 CG2 :: 21.502 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 :: 7.755 HA :: 3.359 HB :: 2.181 HG11 :: 1.073 HG12 :: 1.073 HG13 :: 1.073 HG21 :: 0.873 HG22 :: 0.873 HG23 :: 0.873 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 118.323 Ave N Shift Values>> N :: 121.14(4.54) 1.Q24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 K 0.24 Q 0.24 E 0.06 R 0.06 I 0.02 M 0.01 HN Overlap>> 1.S81 1.S81 C Shift Assignments>> C :: 177.756 CA :: 59.004 CB :: 28.471 CG :: 33.861 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 :: 7.757 HA :: 4.043 HB2 :: 2.108 HB3 :: 2.108 HG2 :: 2.457 HG3 :: 2.400 HE21 :: 6.847 HE22 :: 7.457 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 :: 119.130 NE2 :: 111.901 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.C25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 I 0.19 E 0.18 Y 0.14 F 0.08 M 0.02 V 0.02 K 0.01 C Shift Assignments>> C :: 176.952 CA :: 59.813 CB :: 36.590 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.652 HA :: 4.106 HB2 :: 3.165 HB3 :: 3.199 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 119.999 Ave N Shift Values>> N :: 120.17(4.64) 1.A26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.56 A 0.37 I 0.03 C 0.02 C Shift Assignments>> C :: 180.809 CA :: 55.132 CB :: 17.974 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.644 HA :: 3.767 HB1 :: 1.375 HB2 :: 1.375 HB3 :: 1.375 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.924 Ave N Shift Values>> N :: 123.23(3.54) 1.S27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.572 CA :: 61.944 CB :: 63.100 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.698 HA :: 4.181 HB2 :: 4.078 HB3 :: 4.048 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 116.635 Ave N Shift Values>> N :: 116.28(3.52) 1.R28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 R 0.42 G 0.09 K 0.03 HN Overlap>> 1.N67 1.N67 C Shift Assignments>> C :: 177.729 CA :: 58.195 CB :: 30.304 CG :: 27.805 CD :: 43.682 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 :: 8.046 HA :: 4.132 HB2 :: 1.905 HB3 :: 1.905 HG2 :: 1.750 HG3 :: 1.750 HD2 :: 3.131 HD3 :: 3.192 HE :: 7.201 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 118.687 NE :: 84.537 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.S29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.487 CA :: 61.086 CB :: 64.085 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.375 HA :: 4.161 HB2 :: 3.934 HB3 :: 4.016 HG :: 5.482 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 :: 113.678 Ave N Shift Values>> N :: 116.28(3.52) 1.G30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.05 C 0.04 C Shift Assignments>> C :: 174.680 CA :: 46.509 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.342 HA2 :: 3.966 HA3 :: 4.117 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.875 Ave N Shift Values>> N :: 109.67(3.87) 1.V31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.66 C 0.33 C Shift Assignments>> C :: 175.813 CA :: 62.155 CB :: 33.138 CG1 :: 21.541 CG2 :: 20.706 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 :: 7.748 HA :: 4.153 HB :: 2.105 HG11 :: 0.847 HG12 :: 0.847 HG13 :: 0.847 HG21 :: 0.876 HG22 :: 0.876 HG23 :: 0.876 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 :: 115.318 Ave N Shift Values>> N :: 121.14(4.54) 1.L32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 R 0.36 K 0.08 L 0.02 HN Overlap>> 1.A44 1.D39 1.A44 1.D39 C Shift Assignments>> CA :: 55.953 CB :: 41.773 CG :: 30.280 CD1 :: 25.624 CD2 :: 26.294 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 :: 8.174 HA :: 4.362 HB2 :: 1.607 HB3 :: 1.665 HG :: 1.526 HD11 :: 0.812 HD12 :: 0.812 HD13 :: 0.812 HD21 :: 0.670 HD22 :: 0.670 HD23 :: 0.670 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 121.693 Ave N Shift Values>> N :: 121.86(3.9) 1.T33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.84 C 0.15 C Shift Assignments>> C :: 174.962 CA :: 60.838 CB :: 69.633 CG2 :: 22.063 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 9.183 HA :: 4.285 HB :: 4.751 HG21 :: 1.344 HG22 :: 1.344 HG23 :: 1.344 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 112.806 Ave N Shift Values>> N :: 115.42(4.75) 1.A34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.66 A 0.24 I 0.06 C 0.02 C Shift Assignments>> CA :: 55.686 CB :: 17.699 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.878 HA :: 4.054 HB1 :: 1.441 HB2 :: 1.441 HB3 :: 1.441 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.035 Ave N Shift Values>> N :: 123.23(3.54) 1.D35 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> Y 0.28 F 0.28 C 0.14 D 0.09 L 0.07 I 0.07 N 0.03 HN Overlap>> 1.N4 1.N20 1.N4 1.N20 C Shift Assignments>> CA :: 57.277 CB :: 39.559 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 :: 8.250 HA :: 3.844 HB2 :: 1.294(S) HB3 :: 2.265 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 118.729 Ave N Shift Values>> N :: 120.65(3.86) 1.Q36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 E 0.36 M 0.08 I 0.05 Q 0.03 K 0.02 C Shift Assignments>> C :: 179.167 CA :: 59.219 CB :: 30.820 CG :: 36.045 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 :: 7.514 HA :: 3.954 HB2 :: 1.636 HB3 :: 2.418 HG2 :: 2.214 HG3 :: 2.536 HE21 :: 7.659 HE22 :: 6.559 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 :: 118.285 NE2 :: 116.535 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.M37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 M 0.39 A 0.02 C Shift Assignments>> CA :: 56.587 CB :: 30.387 CG :: 31.338 CE :: 15.407 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 :: 8.586 HA :: 4.234 HB2 :: 2.014 HB3 :: 2.164 HG2 :: 2.731 HG3 :: 2.328 HE1 :: 2.036 HE2 :: 2.036 HE3 :: 2.036 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 :: 117.463 Ave N Shift Values>> N :: 120.09(3.57) 1.D38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.25 F 0.18 L 0.16 Y 0.13 C 0.07 D 0.07 R 0.07 I 0.02 C Shift Assignments>> CA :: 57.673 CB :: 41.777 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 :: 8.298 HA :: 4.474 HB2 :: 2.904 HB3 :: 2.904 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 123.766 Ave N Shift Values>> N :: 120.65(3.86) 1.D39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.29 Y 0.28 C 0.13 I 0.09 L 0.07 D 0.07 N 0.01 K 0.01 HN Overlap>> 1.F112 1.F112 1.L32 1.L32 C Shift Assignments>> CA :: 57.884 CB :: 39.897 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 :: 8.228 HA :: 4.461 HB2 :: 2.472 HB3 :: 2.880 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 :: 121.620 Ave N Shift Values>> N :: 120.65(3.86) 1.M40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 M 0.41 A 0.02 I 0.01 HN Overlap>> 1.A71 1.A71 C Shift Assignments>> CA :: 57.686 CB :: 33.852 CG :: 30.551 CE :: 17.402 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 :: 8.423 HA :: 4.240 HB2 :: 2.715 HB3 :: 2.488 HG2 :: 2.026 HG3 :: 2.115 HE1 :: 1.797 HE2 :: 1.797 HE3 :: 1.797 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 120.838 Ave N Shift Values>> N :: 120.09(3.57) 1.G41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.84 C 0.07 L 0.04 A 0.01 C Shift Assignments>> C :: 174.321 CA :: 47.232 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.375 HA2 :: 4.068 HA3 :: 3.826 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.745 Ave N Shift Values>> N :: 109.67(3.87) 1.M42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 M 0.44 A 0.01 HN Overlap>> 1.Q6 1.Q6 C Shift Assignments>> CA :: 58.484 CB :: 31.941 CG :: 31.393 CE :: 17.445 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 :: 8.383 HA :: 4.228 HB2 :: 2.639 HB3 :: 2.467 HG2 :: 2.419 HG3 :: 2.300 HE1 :: 2.116 HE2 :: 2.116 HE3 :: 2.116 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 :: 122.924 Ave N Shift Values>> N :: 120.09(3.57) 1.M43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.58 M 0.4 C Shift Assignments>> CA :: 58.645 CB :: 30.930 CG :: 31.569 CE :: 16.814 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 :: 7.956 HA :: 4.017 HB2 :: 2.004 HB3 :: 2.004 HG2 :: 2.621 HG3 :: 2.621 HE1 :: 2.001 HE2 :: 2.001 HE3 :: 2.001 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 :: 122.077 Ave N Shift Values>> N :: 120.09(3.57) 1.A44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.59 A 0.31 I 0.05 C 0.02 HN Overlap>> 1.E115 1.E115 1.L32 1.L32 C Shift Assignments>> CA :: 55.517 CB :: 18.020 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.074 HA :: 3.834 HB1 :: 1.466 HB2 :: 1.466 HB3 :: 1.466 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.676 Ave N Shift Values>> N :: 123.23(3.54) 1.D45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.25 F 0.18 L 0.16 Y 0.13 C 0.07 D 0.07 R 0.07 I 0.02 HN Overlap>> 1.N4 1.E76 1.Q103 1.N4 1.E76 1.Q103 C Shift Assignments>> CA :: 57.645 CB :: 41.790 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 :: 8.415 HA :: 4.414 HB2 :: 2.737 HB3 :: 2.795 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 118.696 Ave N Shift Values>> N :: 120.65(3.86) 1.S46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 61.429 CB :: 63.111 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.322 HA :: 4.168 HB2 :: 4.036 HB3 :: 3.971 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.766 Ave N Shift Values>> N :: 116.28(3.52) 1.V47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.93 C 0.06 HN Overlap>> 1.L119 1.L119 1.M101 1.M101 C Shift Assignments>> C :: 175.868 CA :: 66.923 CB :: 32.219 CG1 :: 22.818 CG2 :: 20.979 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 :: 8.161 HA :: 3.693 HB :: 2.160 HG11 :: 1.133 HG12 :: 1.133 HG13 :: 1.133 HG21 :: 0.950 HG22 :: 0.950 HG23 :: 0.950 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 :: 122.021 Ave N Shift Values>> N :: 121.14(4.54) 1.N48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.28 F 0.25 C 0.17 I 0.07 D 0.06 N 0.05 L 0.04 E 0.02 M 0.01 C Shift Assignments>> C :: 178.057 CA :: 57.108 CB :: 38.740 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 :: 8.590 HA :: 4.335 HB2 :: 2.907 HB3 :: 2.730 HD21 :: 7.056 HD22 :: 7.464 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 :: 117.937 ND2 :: 111.138 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.S49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.554 CA :: 62.155 CB :: 62.868 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.452 HA :: 4.158 HB2 :: 4.001 HB3 :: 3.947 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 :: 114.096 Ave N Shift Values>> N :: 116.28(3.52) 1.Q50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.32 E 0.21 K 0.18 Q 0.18 I 0.05 M 0.02 R 0.01 C Shift Assignments>> CA :: 58.923 CB :: 29.183 CG :: 34.920 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 :: 8.018 HA :: 4.042 HB2 :: 2.221 HB3 :: 2.106 HG2 :: 2.548 HG3 :: 2.421 HE21 :: 7.072 HE22 :: 7.154 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 :: 120.023 NE2 :: 111.115 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.M51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.63 M 0.33 A 0.02 C Shift Assignments>> C :: 179.542 CA :: 58.187 CB :: 31.430 CG :: 33.530 CE :: 18.008 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 :: 8.679 HA :: 4.263 HB2 :: 2.371 HB3 :: 2.012 HG2 :: 2.725 HG3 :: 2.654 HE1 :: 1.971 HE2 :: 1.971 HE3 :: 1.971 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 :: 118.698 Ave N Shift Values>> N :: 120.09(3.57) 1.Q52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.32 Q 0.25 K 0.24 E 0.06 R 0.06 I 0.02 M 0.01 C Shift Assignments>> C :: 177.932 CA :: 58.564 CB :: 28.380 CG :: 33.923 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 :: 7.932 HA :: 4.027 HB2 :: 2.153 HB3 :: 2.153 HG2 :: 2.552 HG3 :: 2.413 HE21 :: 6.796 HE22 :: 7.296 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 117.852 NE2 :: 111.465 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.K53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.43 C 0.42 R 0.13 C Shift Assignments>> C :: 177.651 CA :: 57.612 CB :: 33.024 CG :: 25.346 CD :: 29.453 CE :: 42.024 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 :: 7.445 HA :: 4.203 HB2 :: 1.934 HB3 :: 1.853 HG2 :: 1.556 HG3 :: 1.453 HD2 :: 1.655 HD3 :: 1.655 HE2 :: 2.913 HE3 :: 2.913 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 :: 117.026 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.M54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 M 0.45 A 0.03 C Shift Assignments>> C :: 176.806 CA :: 57.633 CB :: 34.367 CG :: 32.221 CE :: 17.987 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 :: 7.655 HA :: 4.215 HB2 :: 2.283 HB3 :: 1.988 HG2 :: 2.659 HG3 :: 2.884 HE1 :: 1.996 HE2 :: 1.996 HE3 :: 1.996 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 :: 116.552 Ave N Shift Values>> N :: 120.09(3.57) 1.G55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.71 L 0.15 R 0.04 C 0.03 F 0.01 D 0.01 C Shift Assignments>> C :: 171.006 CA :: 44.915 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.573 HA2 :: 4.209 HA3 :: 3.896 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.349 Ave N Shift Values>> N :: 109.67(3.87) 1.P56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.76 C 0.23 C Shift Assignments>> CA :: 63.643 CB :: 32.419 CG :: 26.992 CD :: 49.431 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 :: 4.354 HB2 :: 2.253 HB3 :: 1.910 HG2 :: 1.987 HG3 :: 1.987 HD2 :: 3.499 HD3 :: 3.673 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.N57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.56 D 0.2 C 0.07 L 0.05 F 0.05 Y 0.04 C Shift Assignments>> C :: 171.178 CA :: 52.228 CB :: 39.168 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 :: 8.831 HA :: 4.925 HB2 :: 2.760 HB3 :: 2.599 HD21 :: 6.877 HD22 :: 7.650 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 :: 116.962 ND2 :: 113.176 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.P58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.78 C 0.21 C Shift Assignments>> CA :: 63.648 CB :: 31.490 CG :: 27.579 CD :: 49.823 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 :: 4.641 HB2 :: 1.677 HB3 :: 2.203 HG2 :: 1.972 HG3 :: 1.922 HD2 :: 3.499 HD3 :: 3.747 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.P59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.6 C 0.38 C Shift Assignments>> CA :: 62.008 CB :: 32.486 CG :: 27.788 CD :: 50.533 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 :: 4.539 HB2 :: 1.324 HB3 :: 2.391 HG2 :: 2.146 HG3 :: 1.678 HD2 :: 3.928 HD3 :: 3.418 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.Q60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 Q 0.15 K 0.14 I 0.11 E 0.09 R 0.03 C Shift Assignments>> C :: 178.949 CA :: 60.113 CB :: 28.006 CG :: 34.559 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 9.110 HA :: 3.928 HB2 :: 2.253 HB3 :: 2.253 HG2 :: 2.512 HG3 :: 2.608 HE21 :: 7.684 HE22 :: 7.018 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 :: 124.193 NE2 :: 112.007 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.H61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 W 0.35 H 0.26 C Shift Assignments>> CA :: 58.450 CB :: 26.746 CD2 :: 120.618 CE1 :: 138.444 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 :: 8.710 HA :: 4.325 HB2 :: 3.704 HB3 :: 3.352 HD2 :: 7.600 HE1 :: 9.423 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 113.960 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.R62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 R 0.43 G 0.08 K 0.02 C Shift Assignments>> C :: 178.066 CA :: 58.984 CB :: 30.843 CG :: 26.989 CD :: 43.513 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 6.599 HA :: 4.150 HB2 :: 1.713 HB3 :: 1.713 HG2 :: 1.382 HG3 :: 1.328 HD2 :: 2.975 HD3 :: 3.025 HE :: 7.305 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 119.603 NE :: 84.873 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.L63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.54 C 0.43 R 0.02 C Shift Assignments>> C :: 178.677 CA :: 57.861 CB :: 41.258 CG :: 27.096 CD1 :: 25.697 CD2 :: 23.179 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 :: 7.031 HA :: 3.949 HB2 :: 1.961 HB3 :: 1.806 HG :: 1.541 HD11 :: 0.858 HD12 :: 0.858 HD13 :: 0.858 HD21 :: 0.795 HD22 :: 0.795 HD23 :: 0.795 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.184 Ave N Shift Values>> N :: 121.86(3.9) 1.R64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.5 C 0.45 R 0.03 C Shift Assignments>> C :: 178.826 CA :: 59.111 CB :: 30.049 CD :: 45.360 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 :: 8.304 HA :: 4.313 HB2 :: 1.772 HB3 :: 1.965 HG2 :: 1.688 HG3 :: 1.548 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 119.504 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.A65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.64 A 0.23 I 0.08 C 0.03 C Shift Assignments>> C :: 179.073 CA :: 56.024 CB :: 18.048 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.494 HA :: 3.869 HB1 :: 1.491 HB2 :: 1.491 HB3 :: 1.491 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.363 Ave N Shift Values>> N :: 123.23(3.54) 1.M66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.64 M 0.34 A 0.01 C Shift Assignments>> CA :: 58.305 CB :: 33.522 CG :: 33.765 CE :: 17.732 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 :: 7.831 HA :: 4.002 HB2 :: 1.980 HB3 :: 2.107 HG2 :: 2.391 HG3 :: 2.480 HE1 :: 2.028 HE2 :: 2.028 HE3 :: 2.028 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 :: 116.603 Ave N Shift Values>> N :: 120.09(3.57) 1.N67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.25 F 0.24 C 0.14 D 0.13 N 0.08 L 0.08 I 0.04 HN Overlap>> 1.R28 1.R28 C Shift Assignments>> CA :: 56.518 CB :: 39.339 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 :: 8.085 HA :: 3.702 HB2 :: 2.503 HB3 :: 2.459 HD21 :: 6.841 HD22 :: 7.452 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 118.713 ND2 :: 111.797 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.T68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.97 C 0.02 C Shift Assignments>> CA :: 66.936 CB :: 68.570 CG2 :: 22.065 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.767 HA :: 3.780 HB :: 4.104 HG21 :: 1.115 HG22 :: 1.115 HG23 :: 1.115 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 :: 116.218 Ave N Shift Values>> N :: 115.42(4.75) 1.A69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.6 A 0.27 I 0.07 C 0.03 C Shift Assignments>> C :: 178.510 CA :: 55.930 CB :: 18.230 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.752 HA :: 3.877 HB1 :: 1.414 HB2 :: 1.414 HB3 :: 1.414 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.930 Ave N Shift Values>> N :: 123.23(3.54) 1.M70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.67 M 0.32 HN Overlap>> 1.S127 1.S127 C Shift Assignments>> C :: 177.385 CA :: 59.768 CB :: 32.200 CG :: 32.456 CE :: 18.485 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 :: 8.044 HA :: 3.950 HB2 :: 2.124 HB3 :: 2.147 HG2 :: 2.881 HG3 :: 2.652 HE1 :: 2.036 HE2 :: 2.036 HE3 :: 2.036 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 :: 116.149 Ave N Shift Values>> N :: 120.09(3.57) 1.A71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.55 A 0.35 I 0.04 C 0.03 HN Overlap>> 1.M40 1.M40 C Shift Assignments>> CA :: 55.395 CB :: 18.189 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.399 HA :: 3.692 HB1 :: 1.204 HB2 :: 1.204 HB3 :: 1.204 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.837 Ave N Shift Values>> N :: 123.23(3.54) 1.A72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.52 A 0.4 I 0.03 C 0.02 HN Overlap>> 1.V116 1.V116 C Shift Assignments>> C :: 178.417 CA :: 55.186 CB :: 18.260 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.012 HA :: 3.829 HB1 :: 1.266 HB2 :: 1.266 HB3 :: 1.266 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 117.487 Ave N Shift Values>> N :: 123.23(3.54) 1.E73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 E 0.25 I 0.15 K 0.12 Q 0.08 HN Overlap>> 1.N91 1.N91 1.L123 1.L123 C Shift Assignments>> CA :: 59.854 CB :: 28.927 CG :: 35.462 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 :: 8.355 HA :: 3.938 HB2 :: 2.030 HB3 :: 2.262 HG2 :: 2.631 HG3 :: 2.181 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 :: 117.436 Ave N Shift Values>> N :: 120.67(3.48) 1.V74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.57 C 0.42 HN Overlap>> 1.V120 1.V120 C Shift Assignments>> CA :: 66.943 CB :: 31.393 CG1 :: 24.793 CG2 :: 22.628 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 :: 8.683 HA :: 3.464 HB :: 2.140 HG11 :: 1.073 HG12 :: 1.073 HG13 :: 1.073 HG21 :: 0.775 HG22 :: 0.775 HG23 :: 0.775 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 120.397 Ave N Shift Values>> N :: 121.14(4.54) 1.A75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.61 L 0.12 M 0.1 C 0.1 V 0.03 T 0.01 HN Overlap>> 1.M102 1.M102 C Shift Assignments>> CA :: 54.920 CB :: 20.452 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.267 HA :: 3.794 HB1 :: 1.383 HB2 :: 1.383 HB3 :: 1.383 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.493 Ave N Shift Values>> N :: 123.23(3.54) 1.E76 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 M 0.22 K 0.18 Q 0.14 R 0.01 HN Overlap>> 1.Q103 1.D45 1.Q103 1.D45 C Shift Assignments>> CA :: 58.476 CB :: 30.559 CG :: 32.176(S) 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 :: 8.437 HA :: 4.093 HB2 :: 2.144 HB3 :: 2.042 HG2 :: 2.379 HG3 :: 2.516 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 :: 118.686 Ave N Shift Values>> N :: 120.67(3.48) 1.V77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.84 C 0.15 C Shift Assignments>> C :: 178.245 CA :: 66.934 CB :: 31.138 CG1 :: 23.839 CG2 :: 21.513 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 :: 7.664 HA :: 3.580 HB :: 2.432 HG11 :: 1.102 HG12 :: 1.102 HG13 :: 1.102 HG21 :: 0.780 HG22 :: 0.780 HG23 :: 0.780 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 121.197 Ave N Shift Values>> N :: 121.14(4.54) 1.V78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.91 C 0.08 C Shift Assignments>> C :: 179.198 CA :: 66.509 CB :: 31.329 CG1 :: 21.901 CG2 :: 22.356 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 :: 7.470 HA :: 3.197 HB :: 2.234 HG11 :: 0.796 HG12 :: 0.796 HG13 :: 0.796 HG21 :: 0.571 HG22 :: 0.571 HG23 :: 0.571 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 :: 117.874 Ave N Shift Values>> N :: 121.14(4.54) 1.A79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.63 M 0.23 C 0.06 L 0.03 V 0.01 I 0.01 C Shift Assignments>> C :: 178.198 CA :: 54.916 CB :: 19.625 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.857 HA :: 4.291 HB1 :: 1.453 HB2 :: 1.453 HB3 :: 1.453 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.957 Ave N Shift Values>> N :: 123.23(3.54) 1.T80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.87 C 0.12 C Shift Assignments>> C :: 174.336 CA :: 61.159 CB :: 70.214 CG2 :: 21.780 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.507 HA :: 4.469 HB :: 4.486 HG21 :: 1.261 HG22 :: 1.261 HG23 :: 1.261 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 :: 106.022 Ave N Shift Values>> N :: 115.42(4.75) 1.S81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.Q24 1.Q24 C Shift Assignments>> C :: 171.194 CA :: 58.175 CB :: 63.337 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.694 HA :: 4.568 HB2 :: 3.822 HB3 :: 3.822 HG :: 5.716 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 119.147 Ave N Shift Values>> N :: 116.28(3.52) 1.P82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.85 P 0.14 C Shift Assignments>> CA :: 59.767 CB :: 31.073 CG :: 28.106 CD :: 50.512 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 :: 4.778 HB2 :: 2.482 HB3 :: 1.921 HG2 :: 2.182 HG3 :: 2.104 HD2 :: 3.789 HD3 :: 3.617 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.P83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.87 C 0.12 C Shift Assignments>> CA :: 65.837 CB :: 31.927 CG :: 27.776 CD :: 50.271 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 :: 4.247 HB2 :: 2.361 HB3 :: 1.979 HG2 :: 2.098 HG3 :: 2.182 HD2 :: 3.840 HD3 :: 3.891 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.Q84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 Q 0.24 K 0.18 R 0.14 E 0.02 I 0.01 M 0.01 C Shift Assignments>> C :: 176.713 CA :: 58.207 CB :: 27.529 CG :: 33.543 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 9.183 HA :: 4.286 HB2 :: 2.155 HB3 :: 2.155 HG2 :: 2.558 HG3 :: 2.481 HE21 :: 7.648 HE22 :: 6.958 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 :: 114.700 NE2 :: 111.946 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.S85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.132 CA :: 58.166 CB :: 64.688 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.936 HA :: 4.913 HB2 :: 4.016 HB3 :: 3.890 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 :: 113.671 Ave N Shift Values>> N :: 116.28(3.52) 1.Y86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.74 C 0.25 C Shift Assignments>> C :: 175.634 CA :: 62.815 CB :: 39.296 CD1 :: 132.812 CD2 :: 132.812 CE1 :: 117.801 CE2 :: 117.801 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 :: 7.394 HA :: 3.867 HB2 :: 3.035 HB3 :: 2.991 HD1 :: 7.003 HD2 :: 7.003 HE1 :: 6.622 HE2 :: 6.622 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 :: 123.307 Ave N Shift Values>> N :: 120.52(4.2) 1.S87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 62.424 CB :: 62.269 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.963 HA :: 3.940 HB2 :: 3.928 HB3 :: 3.928 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 :: 113.260 Ave N Shift Values>> N :: 116.28(3.52) 1.A88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.54 A 0.38 I 0.03 C 0.02 C Shift Assignments>> C :: 181.186 CA :: 55.113 CB :: 18.025 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.009 HA :: 4.224 HB1 :: 1.477 HB2 :: 1.477 HB3 :: 1.477 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.030 Ave N Shift Values>> N :: 123.23(3.54) 1.V89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.82 C 0.17 C Shift Assignments>> C :: 177.432 CA :: 67.421 CB :: 31.249 CG1 :: 24.006 CG2 :: 22.376 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 :: 8.764 HA :: 3.271 HB :: 2.146 HG11 :: 1.069 HG12 :: 1.069 HG13 :: 1.069 HG21 :: 0.698 HG22 :: 0.698 HG23 :: 0.698 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 :: 122.101 Ave N Shift Values>> N :: 121.14(4.54) 1.L90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 L 0.42 R 0.02 HN Overlap>> 1.M18 1.M18 C Shift Assignments>> CA :: 59.009 CB :: 41.240 CG :: 27.251 CD1 :: 24.010 CD2 :: 25.681 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 :: 8.584 HA :: 3.649 HB2 :: 0.957 HB3 :: 1.724 HG :: 1.403 HD11 :: 0.831 HD12 :: 0.831 HD13 :: 0.831 HD21 :: 0.848 HD22 :: 0.848 HD23 :: 0.848 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 121.259 Ave N Shift Values>> N :: 121.86(3.9) 1.N91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.26 F 0.22 C 0.18 N 0.09 D 0.07 I 0.05 E 0.04 L 0.03 M 0.01 HN Overlap>> 1.E73 1.E73 C Shift Assignments>> CA :: 56.558 CB :: 38.472 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 :: 8.278 HA :: 4.364 HB2 :: 2.869 HB3 :: 2.801 HD21 :: 6.897 HD22 :: 7.598 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 :: 117.398 ND2 :: 112.786 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.T92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.97 C 0.02 C Shift Assignments>> C :: 173.758 CA :: 67.413 CB :: 68.823 CG2 :: 20.420 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 :: 8.361 HA :: 3.959 HB :: 4.187 HG1 :: 5.119 HG21 :: 1.219 HG22 :: 1.219 HG23 :: 1.219 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 119.126 Ave N Shift Values>> N :: 115.42(4.75) 1.I93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.92 I 0.06 C Shift Assignments>> C :: 177.838 CA :: 62.589 CB :: 34.380 CG1 :: 28.364 CG2 :: 16.654 CD1 :: 8.965 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 9.086 HA :: 3.544 HB :: 2.040 HG12 :: 1.110 HG13 :: 1.585 HG21 :: 0.592 HG22 :: 0.592 HG23 :: 0.592 HD11 :: 0.589 HD12 :: 0.589 HD13 :: 0.589 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 :: 122.500 Ave N Shift Values>> N :: 121.46(4.28) 1.G94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.64 P 0.11 C 0.1 A 0.06 L 0.03 N 0.02 C Shift Assignments>> C :: 175.790 CA :: 47.816 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.491 HA2 :: 3.571 HA3 :: 4.050 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.378 Ave N Shift Values>> N :: 109.67(3.87) 1.A95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.59 A 0.32 I 0.04 C 0.02 C Shift Assignments>> C :: 178.542 CA :: 55.439 CB :: 18.001 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.014 HA :: 4.186 HB1 :: 1.514 HB2 :: 1.514 HB3 :: 1.514 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.597 Ave N Shift Values>> N :: 123.23(3.54) 1.C96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.22 Y 0.18 E 0.18 F 0.13 N 0.11 M 0.05 I 0.03 D 0.03 K 0.01 L 0.01 C Shift Assignments>> C :: 178.542 CA :: 56.086 CB :: 37.388 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 9.036 HA :: 4.634 HB2 :: 2.890 HB3 :: 2.954 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 116.167 Ave N Shift Values>> N :: 120.17(4.64) 1.L97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 L 0.44 R 0.05 C Shift Assignments>> C :: 177.400 CA :: 59.008 CB :: 41.806 CG :: 27.059 CD1 :: 25.814 CD2 :: 25.343 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.239 HA :: 4.005 HB2 :: 2.038 HB3 :: 1.603 HG :: 1.819 HD11 :: 0.909 HD12 :: 0.909 HD13 :: 0.909 HD21 :: 0.955 HD22 :: 0.955 HD23 :: 0.955 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 126.837 Ave N Shift Values>> N :: 121.86(3.9) 1.R98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 R 0.31 G 0.09 K 0.05 C Shift Assignments>> C :: 177.932 CA :: 60.651 CB :: 30.071 CG :: 28.327 CD :: 43.345 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 :: 7.384 HA :: 3.946 HB2 :: 1.928 HB3 :: 1.961 HG2 :: 1.494 HG3 :: 1.817 HD2 :: 3.240 HD3 :: 3.240 HE :: 7.397 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 118.714 NE :: 83.715 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.E99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 E 0.35 I 0.11 M 0.04 K 0.03 Q 0.02 C Shift Assignments>> CA :: 59.616 CB :: 30.318 CG :: 36.277 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 :: 8.287 HA :: 3.970 HB2 :: 2.042 HB3 :: 2.131 HG2 :: 2.309 HG3 :: 2.159 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 :: 117.558 Ave N Shift Values>> N :: 120.67(3.48) 1.S100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 62.734 CB :: 63.101 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.451 HA :: 4.245 HB2 :: 4.112 HB3 :: 4.112 HG :: 4.610 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 :: 114.862 Ave N Shift Values>> N :: 116.28(3.52) 1.M101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.92 M 0.06 HN Overlap>> 1.L119 1.V47 1.L119 1.V47 C Shift Assignments>> CA :: 60.877 CB :: 33.593 CG :: 34.690 CE :: 17.229 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 :: 8.094 HA :: 3.950 HB2 :: 2.296 HB3 :: 2.296 HG2 :: 2.544 HG3 :: 2.939 HE1 :: 1.684 HE2 :: 1.684 HE3 :: 1.684 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 :: 122.058 Ave N Shift Values>> N :: 120.09(3.57) 1.M102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 M 0.43 A 0.01 HN Overlap>> 1.A75 1.A75 C Shift Assignments>> CA :: 57.926 CB :: 30.852 CG :: 31.935 CE :: 16.369 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 :: 8.222 HA :: 4.040 HB2 :: 2.036 HB3 :: 2.149 HG2 :: 2.500 HG3 :: 2.432 HE1 :: 1.947 HE2 :: 1.947 HE3 :: 1.947 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 120.419 Ave N Shift Values>> N :: 120.09(3.57) 1.Q103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.31 Q 0.26 K 0.26 E 0.06 R 0.05 M 0.02 I 0.02 HN Overlap>> 1.N4 1.E76 1.N4 1.E76 1.D45 1.D45 C Shift Assignments>> C :: 177.275 CA :: 58.496 CB :: 28.665 CG :: 33.878 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 :: 8.427 HA :: 3.969 HB2 :: 1.954 HB3 :: 2.070 HG2 :: 2.471 HG3 :: 2.371 HE21 :: 7.344 HE22 :: 6.571 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 :: 118.702 NE2 :: 110.291 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.A104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.6 L 0.17 C 0.1 M 0.07 V 0.02 T 0.01 C Shift Assignments>> C :: 178.714 CA :: 54.661 CB :: 20.728 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.709 HA :: 4.233 HB1 :: 1.496 HB2 :: 1.496 HB3 :: 1.496 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 117.825 Ave N Shift Values>> N :: 123.23(3.54) 1.T105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.84 C 0.15 C Shift Assignments>> CA :: 61.476 CB :: 68.305 CG2 :: 22.047 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 :: 8.313 HA :: 4.718 HB :: 4.795 HG21 :: 1.120 HG22 :: 1.120 HG23 :: 1.120 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 :: 103.525 Ave N Shift Values>> N :: 115.42(4.75) 1.G106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 L 0.07 C 0.03 C Shift Assignments>> CA :: 45.878 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.290 HA2 :: 4.325 HA3 :: 3.894 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.246 Ave N Shift Values>> N :: 109.67(3.87) 1.S107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 T 0.01 HN Overlap>> 1.N13 1.N13 C Shift Assignments>> C :: 171.116 CA :: 57.599 CB :: 65.538 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.998 HA :: 4.621 HB2 :: 3.695 HB3 :: 3.672 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 :: 114.908 Ave N Shift Values>> N :: 116.28(3.52) 1.V108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.66 C 0.33 C Shift Assignments>> CA :: 62.268 CB :: 33.895 CG1 :: 22.089 CG2 :: 22.026 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 :: 8.155 HA :: 3.959 HB :: 1.939 HG11 :: 0.966 HG12 :: 0.966 HG13 :: 0.966 HG21 :: 0.873 HG22 :: 0.873 HG23 :: 0.873 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 :: 117.438 Ave N Shift Values>> N :: 121.14(4.54) 1.D109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.35 L 0.23 N 0.12 K 0.1 F 0.06 C 0.05 Y 0.04 R 0.02 C Shift Assignments>> CA :: 53.261 CB :: 41.474 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 :: 7.867 HA :: 4.806 HB2 :: 2.625 HB3 :: 3.133 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 :: 127.104 Ave N Shift Values>> N :: 120.65(3.86) 1.N110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.21 F 0.19 N 0.18 C 0.14 D 0.13 L 0.06 I 0.03 E 0.02 M 0.01 C Shift Assignments>> CA :: 55.660 CB :: 38.772 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 :: 8.832 HA :: 4.514 HB2 :: 2.748 HB3 :: 2.748 HD21 :: 7.702 HD22 :: 6.911 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 125.485 ND2 :: 113.218 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.A111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.59 A 0.33 I 0.04 C 0.02 C Shift Assignments>> C :: 174.868 CA :: 55.337 CB :: 17.925 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.345 HA :: 4.226 HB1 :: 1.580 HB2 :: 1.580 HB3 :: 1.580 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.472 Ave N Shift Values>> N :: 123.23(3.54) 1.F112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.69 C 0.3 HN Overlap>> 1.D39 1.D39 C Shift Assignments>> CA :: 61.194 CB :: 39.285 CD1 :: 130.863 CD2 :: 130.863 CE1 :: 130.838 CE2 :: 130.838 CZ :: 128.126 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 :: 8.285 HA :: 4.453 HB2 :: 2.977 HB3 :: 3.321 HD1 :: 7.257 HD2 :: 7.257 HE1 :: 7.165 HE2 :: 7.165 HZ :: 7.033 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 121.642 Ave N Shift Values>> N :: 120.45(4.18) 1.T113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.96 C 0.03 C Shift Assignments>> CA :: 67.480 CB :: 68.267 CG2 :: 22.356 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.807 HA :: 3.462 HB :: 4.197 HG1 :: 4.866 HG21 :: 1.161 HG22 :: 1.161 HG23 :: 1.161 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 :: 113.295 Ave N Shift Values>> N :: 115.42(4.75) 1.N114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.24 F 0.19 C 0.19 N 0.11 D 0.06 E 0.06 I 0.04 L 0.03 M 0.02 C Shift Assignments>> C :: 176.833 CA :: 56.296 CB :: 38.214 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 :: 8.192 HA :: 4.302 HB2 :: 2.856 HB3 :: 2.763 HD21 :: 7.594 HD22 :: 6.888 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 118.329 ND2 :: 112.821 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.E115 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.64 M 0.28 Q 0.04 K 0.02 HN Overlap>> 1.A44 1.A44 C Shift Assignments>> C :: 178.354 CA :: 59.715 CB :: 31.730 CG :: 31.732(S) 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 :: 7.972 HA :: 3.941 HB2 :: 2.140 HB3 :: 2.238 HG2 :: 2.269 HG3 :: 1.985 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 :: 121.695 Ave N Shift Values>> N :: 120.67(3.48) 1.V116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.93 C 0.06 HN Overlap>> 1.A72 1.A72 C Shift Assignments>> CA :: 67.451 CB :: 31.423 CG1 :: 22.655 CG2 :: 20.439 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 :: 7.913 HA :: 3.253 HB :: 1.969 HG11 :: 0.465 HG12 :: 0.465 HG13 :: 0.465 HG21 :: 0.649 HG22 :: 0.649 HG23 :: 0.649 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 :: 117.488 Ave N Shift Values>> N :: 121.14(4.54) 1.M117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 M 0.42 A 0.03 C Shift Assignments>> C :: 174.946 CA :: 57.341 CB :: 30.594 CG :: 32.726 CE :: 17.183 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 :: 8.138 HA :: 4.233 HB2 :: 2.224 HB3 :: 1.927 HG2 :: 2.847 HG3 :: 2.713 HE1 :: 1.940 HE2 :: 1.940 HE3 :: 1.940 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 :: 115.348 Ave N Shift Values>> N :: 120.09(3.57) 1.Q118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 Q 0.24 K 0.24 E 0.09 R 0.04 I 0.03 M 0.01 C Shift Assignments>> CA :: 58.921 CB :: 28.628 CG :: 34.143 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 :: 8.561 HA :: 4.050 HB2 :: 2.104 HB3 :: 2.173 HG2 :: 2.466 HG3 :: 2.423 HE21 :: 6.908 HE22 :: 7.227 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 :: 120.838 NE2 :: 111.167 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.47 C 0.42 R 0.09 HN Overlap>> 1.V47 1.M101 1.V47 1.M101 C Shift Assignments>> CA :: 58.440 CB :: 42.001 CG :: 27.297 CD1 :: 25.932 CD2 :: 24.530 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 :: 8.119 HA :: 3.966 HB2 :: 1.001 HB3 :: 2.049 HG :: 1.701 HD11 :: 0.622 HD12 :: 0.622 HD13 :: 0.622 HD21 :: 0.726 HD22 :: 0.726 HD23 :: 0.726 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 :: 122.057 Ave N Shift Values>> N :: 121.86(3.9) 1.V120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.9 C 0.09 HN Overlap>> 1.V74 1.V74 C Shift Assignments>> C :: 178.901 CA :: 67.504 CB :: 31.619 CG1 :: 22.629 CG2 :: 23.248 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 :: 8.787 HA :: 3.348 HB :: 2.326 HG11 :: 0.896 HG12 :: 0.896 HG13 :: 0.896 HG21 :: 1.093 HG22 :: 1.093 HG23 :: 1.093 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 120.402 Ave N Shift Values>> N :: 121.14(4.54) 1.K121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 K 0.44 R 0.08 C Shift Assignments>> C :: 178.808 CA :: 59.798 CB :: 32.180 CG :: 24.994 CD :: 29.203 CE :: 42.071 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 :: 7.637 HA :: 3.936 HB2 :: 1.921 HB3 :: 1.921 HG2 :: 1.392 HG3 :: 1.547 HD2 :: 1.661 HD3 :: 1.661 HE2 :: 2.925 HE3 :: 2.925 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 :: 120.352 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.M122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 M 0.43 HN Overlap>> 1.V23 1.V23 C Shift Assignments>> CA :: 58.755 CB :: 33.655 CG :: 31.923 CE :: 17.980 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 :: 7.772 HA :: 4.095 HB2 :: 2.070 HB3 :: 2.177 HG2 :: 2.642 HG3 :: 2.379 HE1 :: 1.954 HE2 :: 1.954 HE3 :: 1.954 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 118.297 Ave N Shift Values>> N :: 120.09(3.57) 1.L123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 L 0.33 R 0.11 A 0.05 HN Overlap>> 1.E73 1.E73 C Shift Assignments>> C :: 174.696 CA :: 56.526 CB :: 41.792 CG :: 27.254 CD1 :: 21.801 CD2 :: 25.969 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 :: 8.455 HA :: 4.176 HB2 :: 1.405 HB3 :: 1.633 HG :: 1.818 HD11 :: 0.789 HD12 :: 0.789 HD13 :: 0.789 HD21 :: 0.731 HD22 :: 0.731 HD23 :: 0.731 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 :: 117.453 Ave N Shift Values>> N :: 121.86(3.9) 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 :: 173.711 CA :: 59.851 CB :: 63.690 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.802 HA :: 4.504 HB2 :: 3.959 HB3 :: 3.959 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 :: 114.089 Ave N Shift Values>> N :: 116.28(3.52) 1.A125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.8 M 0.16 C 0.02 C Shift Assignments>> C :: 177.604 CA :: 53.247 CB :: 19.055 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.625 HA :: 4.231 HB1 :: 1.413 HB2 :: 1.413 HB3 :: 1.413 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.618 Ave N Shift Values>> N :: 123.23(3.54) 1.D126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 L 0.21 F 0.11 N 0.1 K 0.09 Y 0.09 C 0.06 HN Overlap>> 1.M16 1.M16 C Shift Assignments>> C :: 176.588 CA :: 54.687 CB :: 40.932 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 :: 8.188 HA :: 4.565 HB2 :: 2.719 HB3 :: 2.607 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 :: 119.115 Ave N Shift Values>> N :: 120.65(3.86) 1.S127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.M70 1.M70 C Shift Assignments>> C :: 174.539 CA :: 59.009 CB :: 63.654 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.106 HA :: 4.340 HB2 :: 3.845 HB3 :: 3.890 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 116.209 Ave N Shift Values>> N :: 116.28(3.52) 1.A128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.82 M 0.14 C 0.01 C Shift Assignments>> C :: 177.385 CA :: 52.987 CB :: 19.000 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.193 HA :: 4.244 HB1 :: 1.338 HB2 :: 1.338 HB3 :: 1.338 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.627 Ave N Shift Values>> N :: 123.23(3.54) 1.N129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.47 D 0.2 C 0.08 F 0.07 Y 0.07 L 0.06 C Shift Assignments>> C :: 174.805 CA :: 53.254 CB :: 39.081 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 :: 8.110 HA :: 4.648 HB2 :: 2.746 HB3 :: 2.665 HD21 :: 6.882 HD22 :: 7.593 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 :: 116.595 ND2 :: 113.098 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.E130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.3 M 0.11 Q 0.1 K 0.08 I 0.01 C Shift Assignments>> C :: 176.040 CA :: 56.475 CB :: 30.261 CG :: 35.831 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 :: 8.133 HA :: 4.277 HB2 :: 1.919 HB3 :: 2.019 HG2 :: 2.261 HG3 :: 2.222 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 :: 120.816 Ave N Shift Values>> N :: 120.67(3.48) 1.V131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.66 C 0.33 C Shift Assignments>> C :: 175.837 CA :: 62.262 CB :: 32.938 CG1 :: 20.498 CG2 :: 21.223 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 :: 8.174 HA :: 4.157 HB :: 2.069 HG11 :: 0.911 HG12 :: 0.911 HG13 :: 0.911 HG21 :: 0.911 HG22 :: 0.911 HG23 :: 0.911 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 121.229 Ave N Shift Values>> N :: 121.14(4.54) 1.S132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.680 CA :: 58.194 CB :: 63.903 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.431 HA :: 4.551 HB2 :: 3.856 HB3 :: 3.856 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 :: 120.434 Ave N Shift Values>> N :: 116.28(3.52) 1.T133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.89 C 0.1 C Shift Assignments>> C :: 179.042 CA :: 62.334 CB :: 70.748 CG2 :: 22.082 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.858 HA :: 4.544 HB :: 4.234 HG21 :: 1.141 HG22 :: 1.141 HG23 :: 1.141 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 :: 121.223 Ave N Shift Values>> N :: 115.42(4.75) ########################################################################### Overall Results: #Consistent: 130 #Clerical: 0 #Suspicious: 3 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 131 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 2 Shift Relative Order (SRO) Results: #Consistent: 133 #Suspicious: 0 C Shift Results: #Consistent: 467 #Duplicate: 0 #Unknown: 0 #Suspicious: 2 #Anomalous: 0 H Shift Results: #Consistent: 877 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 N Shift Results: #Consistent: 145 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.D35 HB2 = 1.294(S), Expected = 2.72, Std = 0.2600, ChiSquare = 4.1437e-08 1.E76 CG = 32.176(S), Expected = 36.11, Std = 1.1900, ChiSquare = 9.4678e-04 1.E115 CG = 31.732(S), Expected = 36.11, Std = 1.1900, ChiSquare = 2.3416e-04