Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> R 0.42 L 0.3 G 0.07 D 0.06 F 0.05 K 0.03 Y 0.03 C Shift Assignments>> CA :: 43.376 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> HA2 :: 3.958 HA3 :: 4.019 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) 1.S2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 1 C Shift Assignments>> C :: 173.644 CA :: 59.141 CB :: 64.657 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> HA :: 4.472 HB2 :: 4.204 HB3 :: 4.204 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) 1.D3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.28 L 0.25 K 0.16 F 0.1 Y 0.07 N 0.06 R 0.03 C Shift Assignments>> C :: 175.724 CA :: 54.813 CB :: 41.444 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.536 HA :: 4.668 HB2 :: 2.733 HB3 :: 2.733 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 122.170 Ave N Shift Values>> N :: 120.65(3.86) 1.Q4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.64 Q 0.28 N 0.04 D 0.02 C Shift Assignments>> C :: 175.569 CA :: 56.938 CB :: 30.875 CG :: 36.169 CD :: 179.292 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 :: 8.329 HA :: 4.321 HB2 :: 1.979 HB3 :: 1.979 HG2 :: 2.306 HG3 :: 2.306 HE21 :: 7.483 HE22 :: 6.815 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 :: 122.365 NE2 :: 111.470 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.S5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 1 C Shift Assignments>> C :: 173.952 CA :: 59.737 CB :: 64.262 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.343 HA :: 4.455 HB2 :: 3.918 HB3 :: 3.918 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 :: 116.778 Ave N Shift Values>> N :: 116.28(3.52) 1.E6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.61 M 0.19 Q 0.08 K 0.06 I 0.03 HN Overlap>> 1.E50 1.E50 C Shift Assignments>> C :: 175.522 CA :: 56.926 CB :: 30.614 CG :: 36.249 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 :: 8.367 HA :: 4.377 HB2 :: 2.002 HB3 :: 2.002 HG2 :: 2.303 HG3 :: 2.303 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 122.077 Ave N Shift Values>> N :: 120.67(3.48) 1.N7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.77 D 0.22 HN Overlap>> 1.E29 1.E29 C Shift Assignments>> C :: 174.583 CA :: 53.963 CB :: 39.042 CG :: 176.423 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 :: 8.388 HA :: 4.715 HB2 :: 2.834 HB3 :: 2.834 HD21 :: 7.566 HD22 :: 6.906 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 :: 119.564 ND2 :: 112.648 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.V8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.E61 1.E61 C Shift Assignments>> C :: 175.035 CA :: 62.811 CB :: 32.799 CG1 :: 21.110 CG2 :: 20.279 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 :: 7.973 HA :: 4.158 HB :: 2.103 HG11 :: 0.939 HG12 :: 0.939 HG13 :: 0.939 HG21 :: 0.939 HG22 :: 0.939 HG23 :: 0.939 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 119.559 Ave N Shift Values>> N :: 121.14(4.54) 1.D9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.28 L 0.25 K 0.16 F 0.1 Y 0.07 N 0.06 R 0.03 C Shift Assignments>> C :: 175.809 CA :: 54.820 CB :: 41.457 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 :: 8.385 HA :: 4.844 HB2 :: 2.769 HB3 :: 2.686 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 :: 123.570 Ave N Shift Values>> N :: 120.65(3.86) 1.R10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.79 G 0.09 K 0.09 HN Overlap>> 1.H49 1.H49 C Shift Assignments>> C :: 176.436 CA :: 56.667 CB :: 30.453 CG :: 27.185 CD :: 43.292 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 :: 8.352 HA :: 4.427 HB2 :: 2.045 HB3 :: 2.045 HG2 :: 1.666 HG3 :: 1.666 HD2 :: 3.229 HD3 :: 3.229 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 :: 120.529 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.G11 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 :: 173.560 CA :: 46.019 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.454 HA2 :: 3.982 HA3 :: 3.982 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.340 Ave N Shift Values>> N :: 109.67(3.87) 1.A12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.88 M 0.09 L 0.01 C Shift Assignments>> C :: 177.722 CA :: 53.120 CB :: 19.717 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.171 HA :: 4.360 HB1 :: 1.447 HB2 :: 1.447 HB3 :: 1.447 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.926 Ave N Shift Values>> N :: 123.23(3.54) 1.G13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.9 L 0.08 C Shift Assignments>> C :: 173.659 CA :: 45.710 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.425 HA2 :: 3.995 HA3 :: 4.004 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.819 Ave N Shift Values>> N :: 109.67(3.87) 1.S14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 1 C Shift Assignments>> C :: 174.683 CA :: 59.066 CB :: 64.412 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.103 HA :: 4.553 HB2 :: 3.900 HB3 :: 3.900 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 :: 115.410 Ave N Shift Values>> N :: 116.28(3.52) 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 :: 175.660 CA :: 61.850 CB :: 38.926 CG1 :: 27.390 CG2 :: 17.701 CD1 :: 13.080 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 :: 8.105 HA :: 4.232 HB :: 1.937 HG12 :: 1.496 HG13 :: 1.239 HG21 :: 0.943 HG22 :: 0.943 HG23 :: 0.943 HD11 :: 0.899 HD12 :: 0.899 HD13 :: 0.899 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 :: 122.132 Ave N Shift Values>> N :: 121.46(4.28) 1.R16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.74 K 0.14 G 0.11 C Shift Assignments>> C :: 175.475 CA :: 56.485 CB :: 31.098 CG :: 27.518 CD :: 43.411 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 :: 8.307 HA :: 4.632 HB2 :: 1.824 HB3 :: 1.824 HG2 :: 1.641 HG3 :: 1.641 HD2 :: 3.215 HD3 :: 3.215 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 124.573 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.E17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.2 H 0.19 E 0.16 M 0.15 Q 0.12 K 0.12 V 0.01 C Shift Assignments>> C :: 175.540 CA :: 56.505 CB :: 31.018 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.094 HA :: 4.254 HB2 :: 1.849 HB3 :: 1.661 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 :: 121.783 Ave N Shift Values>> N :: 120.67(3.48) 1.A18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.86 M 0.11 L 0.01 C Shift Assignments>> C :: 177.535 CA :: 53.329 CB :: 19.576 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.112 HA :: 4.324 HB1 :: 1.464 HB2 :: 1.464 HB3 :: 1.464 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.310 Ave N Shift Values>> N :: 123.23(3.54) 1.G19 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 :: 174.204 CA :: 45.647 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.364 HA2 :: 4.010 HA3 :: 4.010 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.921 Ave N Shift Values>> N :: 109.67(3.87) 1.G20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.9 L 0.07 C Shift Assignments>> C :: 173.312 CA :: 45.759 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.198 HA2 :: 3.972 HA3 :: 3.972 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.498 Ave N Shift Values>> N :: 109.67(3.87) 1.A21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.87 M 0.1 L 0.01 C Shift Assignments>> C :: 176.983 CA :: 53.103 CB :: 19.571 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.154 HA :: 4.288 HB1 :: 1.330 HB2 :: 1.330 HB3 :: 1.330 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.680 Ave N Shift Values>> N :: 123.23(3.54) 1.F22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.99 C Shift Assignments>> C :: 175.727 CA :: 58.263 CB :: 39.718 CD1 :: 130.125 CD2 :: 130.125 CE1 :: 131.768 CE2 :: 131.768 CZ :: 129.875 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 :: 8.169 HA :: 4.667 HB2 :: 3.045 HB3 :: 3.234 HD1 :: 7.342 HD2 :: 7.342 HE1 :: 7.306 HE2 :: 7.306 HZ :: 7.396 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 :: 118.861 Ave N Shift Values>> N :: 120.45(4.18) 1.G23 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 :: 173.406 CA :: 45.972 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.238 HA2 :: 3.957 HA3 :: 3.957 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.011 Ave N Shift Values>> N :: 109.67(3.87) 1.K24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.25 Q 0.24 M 0.23 R 0.08 H 0.07 V 0.05 E 0.03 C Shift Assignments>> C :: 176.151 CA :: 57.372 CB :: 33.451 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 :: 8.086 HA :: 4.372 HB2 :: 1.826 HB3 :: 1.826 HG2 :: 1.460 HG3 :: 1.460 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 :: 121.010 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.R25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.74 K 0.15 G 0.09 C Shift Assignments>> C :: 175.903 CA :: 56.803 CB :: 30.930 CG :: 27.518 CD :: 43.292 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 :: 8.382 HA :: 4.339 HB2 :: 1.862 HB3 :: 1.862 HG2 :: 1.667 HG3 :: 1.667 HD2 :: 3.229 HD3 :: 3.229 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 122.658 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.E26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.6 M 0.16 Q 0.09 K 0.08 I 0.05 C Shift Assignments>> C :: 176.054 CA :: 57.476 CB :: 30.425 CG :: 36.127 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 :: 8.526 HA :: 4.311 HB2 :: 2.009 HB3 :: 2.009 HG2 :: 2.326 HG3 :: 2.326 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 122.038 Ave N Shift Values>> N :: 120.67(3.48) 1.Q27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.71 Q 0.25 D 0.01 C Shift Assignments>> C :: 175.578 CA :: 57.094 CB :: 29.956 CG :: 36.189 CD :: 180.040 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 :: 8.357 HA :: 4.299 HB2 :: 2.081 HB3 :: 2.081 HG2 :: 2.391 HG3 :: 2.391 HE21 :: 7.513 HE22 :: 6.830 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 :: 121.367 NE2 :: 112.377 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.A28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.88 M 0.09 L 0.02 C Shift Assignments>> C :: 177.665 CA :: 53.168 CB :: 19.785 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.319 HA :: 4.335 HB1 :: 1.484 HB2 :: 1.484 HB3 :: 1.484 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.072 Ave N Shift Values>> N :: 123.23(3.54) 1.E29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.6 M 0.13 K 0.1 Q 0.09 I 0.06 HN Overlap>> 1.N7 1.N7 C Shift Assignments>> C :: 176.531 CA :: 57.701 CB :: 30.260 CG :: 36.127 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.315 HA :: 4.237 HB2 :: 2.069 HB3 :: 2.069 HG2 :: 2.322 HG3 :: 2.322 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 :: 119.508 Ave N Shift Values>> N :: 120.67(3.48) 1.E30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.6 M 0.13 K 0.09 Q 0.09 I 0.07 HN Overlap>> 1.I74 1.I74 C Shift Assignments>> C :: 176.495 CA :: 57.867 CB :: 30.328 CG :: 36.127 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 :: 8.248 HA :: 4.204 HB2 :: 2.027 HB3 :: 2.027 HG2 :: 2.323 HG3 :: 2.323 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 :: 120.837 Ave N Shift Values>> N :: 120.67(3.48) 1.E31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.6 M 0.21 Q 0.08 K 0.05 I 0.04 C Shift Assignments>> C :: 176.162 CA :: 57.716 CB :: 30.848 CG :: 36.094 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 :: 7.970 HA :: 4.180 HB2 :: 2.132 HB3 :: 2.132 HG2 :: 2.337 HG3 :: 2.337 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 :: 119.432 Ave N Shift Values>> N :: 120.67(3.48) 1.R32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.76 G 0.13 K 0.1 C Shift Assignments>> C :: 175.494 CA :: 59.271 CB :: 31.033 CG :: 27.518 CD :: 43.411 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 :: 8.041 HA :: 4.156 HB2 :: 1.779 HB3 :: 1.779 HG2 :: 1.531 HG3 :: 1.531 HD2 :: 3.189 HD3 :: 3.189 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 :: 120.101 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.Y33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 HN Overlap>> 1.L42 1.L42 C Shift Assignments>> C :: 175.447 CA :: 58.550 CB :: 39.521 CD1 :: 133.273 CD2 :: 133.273 CE1 :: 118.322 CE2 :: 118.322 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 :: 8.101 HA :: 4.523 HB2 :: 3.012 HB3 :: 3.232 HD1 :: 7.050 HD2 :: 7.050 HE1 :: 6.823 HE2 :: 6.823 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 :: 121.299 Ave N Shift Values>> N :: 120.52(4.2) 1.F34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.53 F 0.46 HN Overlap>> 1.L77 1.L77 C Shift Assignments>> C :: 174.102 CA :: 56.765 CB :: 39.588 CD1 :: 132.181 CD2 :: 132.181 CE1 :: 132.195 CE2 :: 132.195 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 :: 8.069 HA :: 4.551 HB2 :: 3.160 HB3 :: 3.160 HD1 :: 7.333 HD2 :: 7.333 HE1 :: 7.400 HE2 :: 7.400 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 :: 120.736 Ave N Shift Values>> N :: 120.45(4.18) 1.R35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.79 G 0.1 K 0.08 L 0.02 C Shift Assignments>> C :: 175.464 CA :: 57.139 CB :: 29.739 CG :: 27.518 CD :: 43.292 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 :: 8.171 HA :: 4.248 HB2 :: 1.735 HB3 :: 1.735 HG2 :: 1.529 HG3 :: 1.529 HD2 :: 3.229 HD3 :: 3.229 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 122.271 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.A36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.83 M 0.14 L 0.01 C Shift Assignments>> C :: 177.314 CA :: 53.460 CB :: 19.391 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.322 HA :: 4.318 HB1 :: 1.467 HB2 :: 1.467 HB3 :: 1.467 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.450 Ave N Shift Values>> N :: 123.23(3.54) 1.Q37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.66 Q 0.28 D 0.02 N 0.02 C Shift Assignments>> C :: 175.699 CA :: 56.740 CB :: 30.061 CG :: 36.169 CD :: 179.741 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 :: 8.223 HA :: 4.321 HB2 :: 2.008 HB3 :: 2.008 HG2 :: 2.345 HG3 :: 2.345 HE21 :: 7.558 HE22 :: 6.824 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 :: 118.639 NE2 :: 112.018 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.S38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 1 C Shift Assignments>> C :: 174.586 CA :: 59.177 CB :: 64.589 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.278 HA :: 4.522 HB2 :: 4.129 HB3 :: 3.994 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 :: 116.351 Ave N Shift Values>> N :: 116.28(3.52) 1.R39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.82 G 0.1 K 0.06 HN Overlap>> 1.K78 1.K78 C Shift Assignments>> C :: 177.637 CA :: 58.730 CB :: 30.288 CG :: 27.075 CD :: 43.292 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 :: 8.561 HA :: 4.181 HB2 :: 1.958 HB3 :: 1.958 HG2 :: 1.743 HG3 :: 1.743 HD2 :: 3.229 HD3 :: 3.229 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 122.418 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.E40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.5 I 0.2 K 0.16 Q 0.1 R 0.01 C Shift Assignments>> C :: 176.382 CA :: 57.990 CB :: 28.285 CG :: 36.094 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 :: 8.340 HA :: 3.411 HB2 :: 2.017 HB3 :: 2.017 HG2 :: 2.328 HG3 :: 2.328 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 :: 117.798 Ave N Shift Values>> N :: 120.67(3.48) 1.Q41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.83 E 0.16 C Shift Assignments>> C :: 177.509 CA :: 58.090 CB :: 29.323 CG :: 34.037 CD :: 179.470 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 :: 8.726 HA :: 4.225 HB2 :: 2.170 HB3 :: 2.170 HG2 :: 2.345 HG3 :: 2.345 HE21 :: 7.389 HE22 :: 6.730 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 :: 118.380 NE2 :: 111.627 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.9 R 0.07 G 0.01 HN Overlap>> 1.Y33 1.Y33 C Shift Assignments>> C :: 178.118 CA :: 57.690 CB :: 42.184 CG :: 27.227 CD1 :: 24.970 CD2 :: 23.889 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 :: 8.176 HA :: 4.208 HB2 :: 1.740 HB3 :: 1.740 HG :: 1.722 HD11 :: 0.956 HD12 :: 0.956 HD13 :: 0.956 HD21 :: 0.935 HD22 :: 0.935 HD23 :: 0.935 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 :: 121.339 Ave N Shift Values>> N :: 121.86(3.9) 1.A43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.56 M 0.39 I 0.02 C Shift Assignments>> C :: 179.147 CA :: 54.750 CB :: 18.675 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.127 HA :: 4.215 HB1 :: 1.518 HB2 :: 1.518 HB3 :: 1.518 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.460 Ave N Shift Values>> N :: 123.23(3.54) 1.A44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.61 M 0.36 I 0.01 C Shift Assignments>> C :: 178.956 CA :: 54.570 CB :: 18.734 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.877 HA :: 4.202 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 :: 121.330 Ave N Shift Values>> N :: 123.23(3.54) 1.L45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.81 R 0.11 G 0.06 C Shift Assignments>> C :: 177.971 CA :: 57.640 CB :: 42.961 CG :: 27.179 CD1 :: 25.064 CD2 :: 23.983 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 :: 7.905 HA :: 4.164 HB2 :: 1.750 HB3 :: 1.750 HG :: 1.726 HD11 :: 0.946 HD12 :: 0.946 HD13 :: 0.946 HD21 :: 0.946 HD22 :: 0.946 HD23 :: 0.946 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 :: 120.628 Ave N Shift Values>> N :: 121.86(3.9) 1.K46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.26 K 0.21 M 0.13 Q 0.12 R 0.1 H 0.08 E 0.06 C Shift Assignments>> C :: 177.433 CA :: 59.570 CB :: 32.871 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 :: 8.013 HA :: 4.269 HB2 :: 1.759 HB3 :: 1.759 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 :: 119.861 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.49 Y 0.17 E 0.12 F 0.1 V 0.06 M 0.01 K 0.01 HN Overlap>> 1.H79 1.H79 C Shift Assignments>> C :: 176.888 CA :: 61.250 CB :: 36.647 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 :: 7.965 HA :: 4.250 HB2 :: 2.002 HB3 :: 2.002 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 118.039 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.H48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.99 C Shift Assignments>> C :: 175.713 CA :: 57.880 CB :: 28.326 CD2 :: 119.619 CE1 :: 137.762 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 :: 8.706 HA :: 4.666 HB2 :: 3.420 HB3 :: 3.520 HD2 :: 6.608 HE1 :: 8.620 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 :: 120.499 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.H49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.99 HN Overlap>> 1.R10 1.R10 C Shift Assignments>> C :: 175.646 CA :: 56.471 CB :: 29.358 CD2 :: 120.327 CE1 :: 137.762 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 :: 8.321 HA :: 4.706 HB2 :: 3.404 HB3 :: 3.394 HD2 :: 7.394 HE1 :: 8.620 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 :: 120.450 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.E50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.54 I 0.31 M 0.08 Q 0.03 K 0.02 HN Overlap>> 1.E6 1.E6 C Shift Assignments>> C :: 176.987 CA :: 61.270 CB :: 30.896 CG :: 36.126 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 :: 8.344 HA :: 4.092 HB2 :: 1.959 HB3 :: 1.959 HG2 :: 2.274 HG3 :: 2.274 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 122.000 Ave N Shift Values>> N :: 120.67(3.48) 1.E51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.32 V 0.23 S 0.1 F 0.09 Y 0.09 E 0.03 R 0.02 K 0.02 H 0.02 Q 0.01 M 0.01 C Shift Assignments>> C :: 179.064 CA :: 61.018 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.845 HA :: 3.876 HB2 :: 1.959 HB3 :: 1.959 HG2 :: 2.137 HG3 :: 2.137 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.071 Ave N Shift Values>> N :: 120.67(3.48) 1.E52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.61 I 0.14 M 0.09 K 0.07 Q 0.06 C Shift Assignments>> C :: 179.086 CA :: 59.170 CB :: 30.301 CG :: 36.124 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 :: 8.362 HA :: 4.279 HB2 :: 2.099 HB3 :: 2.099 HG2 :: 2.337 HG3 :: 2.337 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 :: 119.941 Ave N Shift Values>> N :: 120.67(3.48) 1.I53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.73 G 0.26 C Shift Assignments>> C :: 179.196 CA :: 67.359 CB :: 41.855 CG1 :: 31.328 CG2 :: 17.174 CD1 :: 15.032 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 :: 7.967 HA :: 4.121 HB :: 2.001 HG12 :: 1.894 HG13 :: 1.076 HG21 :: 1.025 HG22 :: 1.025 HG23 :: 1.025 HD11 :: 0.945 HD12 :: 0.945 HD13 :: 0.945 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 :: 122.639 Ave N Shift Values>> N :: 121.46(4.28) 1.V54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.H79 1.H79 C Shift Assignments>> C :: 176.960 CA :: 61.830 CB :: 33.320 CG1 :: 21.334 CG2 :: 20.340 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 :: 7.975 HA :: 4.152 HB :: 2.047 HG11 :: 0.936 HG12 :: 0.936 HG13 :: 0.936 HG21 :: 0.936 HG22 :: 0.936 HG23 :: 0.936 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 :: 118.212 Ave N Shift Values>> N :: 121.14(4.54) 1.H55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.99 C Shift Assignments>> C :: 177.570 CA :: 56.785 CB :: 30.831 CD2 :: 120.552 CE1 :: 137.762 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 :: 8.220 HA :: 4.396 HB2 :: 3.374 HB3 :: 3.123 HD2 :: 7.136 HE1 :: 8.655 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 :: 116.820 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.H56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.99 C Shift Assignments>> C :: 175.779 CA :: 57.890 CB :: 28.480 CD2 :: 120.327 CE1 :: 137.762 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 :: 7.917 HA :: 4.681 HB2 :: 3.419 HB3 :: 3.419 HD2 :: 7.394 HE1 :: 8.655 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 :: 118.491 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.K57 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 :: 178.974 CA :: 60.150 CB :: 32.169 CG :: 25.098 CD :: 29.189 CE :: 42.162 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 :: 8.525 HA :: 4.203 HB2 :: 2.318 HB3 :: 2.035 HG2 :: 1.746 HG3 :: 1.746 HD2 :: 1.471 HD3 :: 1.471 HE2 :: 3.020 HE3 :: 3.020 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 :: 119.758 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.19 E 0.17 H 0.16 K 0.15 M 0.13 Q 0.09 V 0.07 I 0.01 C Shift Assignments>> C :: 178.940 CA :: 58.480 CB :: 31.314 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 :: 8.744 HA :: 4.050 HB2 :: 1.702 HB3 :: 1.702 HG2 :: 1.420 HG3 :: 1.420 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 :: 121.538 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.58 E 0.32 K 0.05 Q 0.02 C Shift Assignments>> C :: 178.725 CA :: 59.558 CB :: 27.618 CG :: 36.566 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 :: 8.958 HA :: 4.133 HB2 :: 2.112 HB3 :: 2.112 HG2 :: 2.410 HG3 :: 2.678 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 :: 119.420 Ave N Shift Values>> N :: 120.67(3.48) 1.I60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.96 F 0.01 Y 0.01 C Shift Assignments>> C :: 177.076 CA :: 67.343 CB :: 38.857 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 :: 8.229 HB :: 1.817 HG21 :: 1.150 HG22 :: 1.150 HG23 :: 1.150 HD11 :: 0.963 HD12 :: 0.963 HD13 :: 0.963 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 :: 120.985 Ave N Shift Values>> N :: 121.46(4.28) 1.E61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.24 H 0.19 E 0.15 M 0.11 V 0.09 Q 0.08 K 0.08 I 0.01 HN Overlap>> 1.V8 1.V8 C Shift Assignments>> CB :: 30.996 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 :: 7.985 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 :: 119.649 Ave N Shift Values>> N :: 120.67(3.48) 1.R62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.3 V 0.22 S 0.11 F 0.1 Y 0.1 E 0.03 R 0.02 K 0.02 H 0.02 Q 0.01 M 0.01 C Shift Assignments>> C :: 178.887 CA :: 60.900 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 :: 8.310 HA :: 4.369 HB2 :: 1.716 HB3 :: 1.718 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 :: 123.103 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>> R 0.25 F 0.19 K 0.18 Y 0.13 L 0.12 I 0.04 D 0.02 G 0.02 HN Overlap>> 1.Q64 1.Q64 C Shift Assignments>> C :: 177.720 CA :: 59.079 CB :: 42.695 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 :: 8.573 HA :: 4.612 HD11 :: 0.869 HD12 :: 0.869 HD13 :: 0.869 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 :: 120.336 Ave N Shift Values>> N :: 121.86(3.9) 1.Q64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.8 Q 0.18 D 0.01 HN Overlap>> 1.L63 1.L63 C Shift Assignments>> C :: 177.954 CA :: 58.974 CB :: 29.817 CG :: 36.498 CD :: 179.511 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 :: 8.595 HA :: 4.216 HB2 :: 2.079 HB3 :: 2.079 HG2 :: 2.399 HG3 :: 2.399 HE21 :: 7.498 HE22 :: 6.862 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 :: 120.311 NE2 :: 111.733 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.K65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.23 R 0.21 F 0.17 L 0.16 Y 0.12 D 0.04 I 0.02 G 0.01 C Shift Assignments>> C :: 178.141 CA :: 58.310 CE :: 42.489 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 :: 7.667 HA :: 4.052 HB2 :: 1.444 HB3 :: 1.444 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 :: 119.551 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.16 Y 0.14 F 0.14 E 0.09 K 0.08 R 0.07 H 0.06 Q 0.06 M 0.04 I 0.04 L 0.02 V 0.02 C Shift Assignments>> C :: 178.110 CA :: 58.552 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 :: 7.852 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 :: 118.629 Ave N Shift Values>> N :: 120.67(3.48) 1.I67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.55 I 0.22 S 0.2 C Shift Assignments>> C :: 176.362 CA :: 66.664 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 :: 7.840 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 118.276 Ave N Shift Values>> N :: 121.46(4.28) 1.E68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.37 K 0.18 M 0.1 R 0.1 Q 0.08 H 0.07 E 0.06 C Shift Assignments>> C :: 178.401 CA :: 60.130 CB :: 32.679 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 :: 7.588 HA :: 4.002 HB2 :: 1.981 HB3 :: 1.725 HG2 :: 2.177 HG3 :: 2.177 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 :: 118.040 Ave N Shift Values>> N :: 120.67(3.48) 1.R69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.17 Y 0.14 F 0.14 I 0.1 E 0.07 V 0.07 K 0.06 R 0.05 H 0.04 Q 0.04 M 0.03 L 0.01 C Shift Assignments>> C :: 178.292 CA :: 59.500 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 :: 8.373 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 :: 119.285 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.H70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.99 C Shift Assignments>> C :: 177.316 CA :: 60.080 CB :: 29.360 CD2 :: 120.327 CE1 :: 137.762 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 :: 7.870 HA :: 4.129 HB2 :: 3.374 HB3 :: 3.374 HD2 :: 7.394 HE1 :: 8.620 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 :: 119.921 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.K71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.63 R 0.31 G 0.05 C Shift Assignments>> C :: 175.909 CA :: 59.420 CB :: 33.561 CE :: 42.657 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 :: 8.080 HA :: 4.361 HB2 :: 1.791 HB3 :: 1.791 HG2 :: 1.456 HG3 :: 1.456 HD2 :: 1.664 HD3 :: 1.664 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 :: 119.221 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Q72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.78 Q 0.19 D 0.01 C Shift Assignments>> C :: 178.849 CA :: 59.420 CB :: 29.365 CG :: 36.542 CD :: 179.128 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 :: 8.225 HA :: 4.115 HB2 :: 2.175 HB3 :: 1.808 HG2 :: 2.733 HG3 :: 2.502 HE21 :: 7.387 HE22 :: 6.742 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 117.007 NE2 :: 110.822 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.K73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.35 K 0.19 Q 0.14 M 0.11 R 0.06 H 0.05 E 0.03 I 0.01 Y 0.01 C Shift Assignments>> C :: 177.795 CA :: 60.020 CB :: 33.486 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 :: 7.870 HA :: 4.133 HB2 :: 1.772 HB3 :: 1.772 HG2 :: 1.369 HG3 :: 1.369 HD2 :: 1.961 HD3 :: 1.961 HE2 :: 2.989 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 :: 120.211 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> 1.E30 1.E30 C Shift Assignments>> C :: 176.513 CA :: 67.310 CB :: 38.513 CG1 :: 31.328 CG2 :: 17.862 CD1 :: 13.993 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 :: 8.332 HA :: 3.663 HB :: 2.212 HG12 :: 2.066 HG13 :: 1.021 HG21 :: 1.041 HG22 :: 1.041 HG23 :: 1.041 HD11 :: 0.923 HD12 :: 0.923 HD13 :: 0.923 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 :: 120.799 Ave N Shift Values>> N :: 121.46(4.28) 1.K75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.36 K 0.18 M 0.1 R 0.1 Q 0.08 H 0.07 E 0.06 C Shift Assignments>> C :: 178.537 CA :: 60.070 CB :: 32.714 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 :: 7.696 HA :: 4.088 HB2 :: 2.219 HB3 :: 2.219 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 118.180 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.M76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.97 A 0.02 C Shift Assignments>> C :: 177.823 CA :: 58.200 CB :: 32.714 CG :: 32.754 CE :: 17.188 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 :: 7.728 HA :: 4.235 HB2 :: 2.212 HB3 :: 2.212 HG2 :: 2.665 HG3 :: 2.815 HE1 :: 2.132 HE2 :: 2.132 HE3 :: 2.132 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 :: 117.320 Ave N Shift Values>> N :: 120.09(3.57) 1.L77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.34 Y 0.31 I 0.23 L 0.03 K 0.03 D 0.01 HN Overlap>> 1.F34 1.F34 C Shift Assignments>> C :: 179.076 CA :: 59.741 CB :: 40.362 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 :: 8.123 HA :: 4.247 HB2 :: 1.775 HB3 :: 1.775 HD11 :: 0.954 HD12 :: 0.954 HD13 :: 0.954 HD21 :: 0.954 HD22 :: 0.954 HD23 :: 0.954 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 :: 120.828 Ave N Shift Values>> N :: 121.86(3.9) 1.K78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.25 M 0.22 Q 0.22 R 0.1 H 0.08 V 0.05 E 0.04 HN Overlap>> 1.R39 1.R39 C Shift Assignments>> C :: 175.937 CA :: 57.470 CB :: 33.223 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 :: 8.573 HA :: 4.226 HB2 :: 1.954 HB3 :: 1.954 HD2 :: 1.732 HD3 :: 1.732 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 122.319 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.H79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.99 HN Overlap>> 1.V54 1.K47 1.V54 1.K47 C Shift Assignments>> C :: 173.516 CA :: 56.770 CB :: 29.312 CD2 :: 120.327 CE1 :: 137.762 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 :: 7.927 HA :: 4.680 HB2 :: 3.378 HB3 :: 3.378 HD2 :: 7.394 HE1 :: 8.620 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 :: 118.139 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.D80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 L 0.26 K 0.15 F 0.09 N 0.07 Y 0.07 R 0.03 C Shift Assignments>> C :: 174.167 CA :: 54.556 CB :: 41.487 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 :: 8.230 HA :: 4.742 HB2 :: 2.819 HB3 :: 2.621 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 :: 121.222 Ave N Shift Values>> N :: 120.65(3.86) 1.D81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.26 K 0.21 R 0.16 D 0.14 F 0.1 Y 0.07 N 0.01 C Shift Assignments>> C :: 179.899 CA :: 56.021 CB :: 42.321 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 :: 7.955 HA :: 4.477 HB2 :: 2.673 HB3 :: 2.673 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 125.380 Ave N Shift Values>> N :: 120.65(3.86) ########################################################################### Overall Results: #Consistent: 81 #Clerical: 0 #Suspicious: 0 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 81 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 81 #Suspicious: 0 C Shift Results: #Consistent: 313 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 494 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 N Shift Results: #Consistent: 86 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0