Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> Q 0.3 M 0.27 C 0.23 K 0.12 E 0.05 C Shift Assignments>> C :: 171.58 CA :: 54.781 CB :: 33.684 CG :: 30.629 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>> HA :: 3.96 HB2 :: 2.119 HB3 :: 1.82 HG2 :: 2.33 HG3 :: 2.219 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) 1.E2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 E 0.25 M 0.19 C Shift Assignments>> C :: 175.107 CA :: 55.28 CB :: 31.939 CG :: 37.536 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 :: 8.894 HA :: 5.173 HB2 :: 1.934 HB3 :: 1.834 HG2 :: 2.074 HG3 :: 1.991 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 126.985 Ave N Shift Values>> N :: 120.67(3.48) 1.I3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.5 C 0.47 G 0.01 C Shift Assignments>> C :: 173.465 CA :: 60.694 CB :: 42.067 CG1 :: 27.547 CG2 :: 16.994 CD1 :: 14.724 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 :: 8.982 HA :: 4.107 HB :: 1.434 HG12 :: 1.254 HG13 :: 0.764 HG21 :: 0.691 HG22 :: 0.691 HG23 :: 0.691 HD11 :: 0.542 HD12 :: 0.542 HD13 :: 0.542 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 :: 126.048 Ave N Shift Values>> N :: 121.46(4.28) 1.K4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.58 C 0.37 R 0.02 C Shift Assignments>> C :: 175.186 CA :: 54.521 CB :: 33.759 CG :: 24.438 CD :: 29.617 CE :: 41.422 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 :: 8.439 HA :: 4.869 HB2 :: 1.531 HB3 :: 1.413 HG2 :: 0.644 HG3 :: 0.579 HD2 :: 1.342 HD3 :: 1.342 HE2 :: 2.399 HE3 :: 2.345 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 :: 129.017 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.59 L 0.22 C 0.15 A 0.03 C Shift Assignments>> C :: 174.843 CA :: 52.651 CB :: 46.06 CG :: 26.752 CD1 :: 26.363 CD2 :: 23.809 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 :: 8.938 HA :: 4.682 HB2 :: 1.416 HB3 :: 1.073 HG :: 0.791 HD11 :: 0.771 HD12 :: 0.771 HD13 :: 0.771 HD21 :: 0.763 HD22 :: 0.763 HD23 :: 0.763 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 :: 125.266 Ave N Shift Values>> N :: 121.86(3.9) 1.I6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.58 C 0.41 C Shift Assignments>> C :: 175.814 CA :: 59.557 CB :: 38.056 CG1 :: 27.935 CG2 :: 17.223 CD1 :: 12.93 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 :: 8.101 HA :: 4.319 HB :: 1.565 HG12 :: 1.291 HG13 :: 0.791 HG21 :: 0.625 HG22 :: 0.625 HG23 :: 0.625 HD11 :: 0.657 HD12 :: 0.657 HD13 :: 0.657 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 121.516 Ave N Shift Values>> N :: 121.46(4.28) 1.K7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 K 0.39 R 0.18 C Shift Assignments>> C :: 176.278 CA :: 58.043 CB :: 33.437 CG :: 25.557 CD :: 29.436 CE :: 42.23 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 :: 8.505 HA :: 3.546 HB2 :: 1.689 HB3 :: 1.331 HG2 :: 1.426 HG3 :: 0.927 HD2 :: 1.426 HD3 :: 1.426 HE2 :: 2.784 HE3 :: 2.784 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 :: 127.454 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.35 L 0.28 R 0.2 C 0.04 F 0.03 D 0.03 Y 0.02 C Shift Assignments>> C :: 173.665 CA :: 44.212 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.397 HA2 :: 3.902 HA3 :: 4.569 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.765 Ave N Shift Values>> N :: 109.67(3.87) 1.P9 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>> C :: 178.182 CA :: 64.911 CB :: 31.95 CG :: 27.372 CD :: 49.635 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.229 HB2 :: 2.293 HB3 :: 1.803 HG2 :: 1.943 HG3 :: 1.943 HD2 :: 3.672 HD3 :: 3.547 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.K10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.51 C 0.32 R 0.16 HN Overlap>> 1.T89 1.T89 C Shift Assignments>> C :: 176.357 CA :: 54.718 CB :: 31.439 CG :: 25.229 CD :: 28.709 CE :: 41.742 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 :: 8.322 HA :: 4.385 HB2 :: 1.915 HB3 :: 1.563 HG2 :: 1.291 HG3 :: 1.188 HD2 :: 1.509 HD3 :: 1.509 HE2 :: 2.817 HE3 :: 2.817 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 114.185 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.48 L 0.24 R 0.14 C 0.04 F 0.03 D 0.02 Y 0.01 C Shift Assignments>> C :: 175.297 CA :: 44.441 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.837 HA2 :: 4.453 HA3 :: 3.346 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.077 Ave N Shift Values>> N :: 109.67(3.87) 1.L12 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.41 C 0.3 R 0.23 G 0.04 A 0.01 C Shift Assignments>> C :: 177.223 CA :: 56.349 CB :: 43.002 CG :: 27.395 CD1 :: 26.542 CD2 :: 22.914 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 :: 11.668(S) HA :: 4.127 HB2 :: 1.506 HB3 :: 1.368 HG :: 1.327 HD11 :: 0.715 HD12 :: 0.715 HD13 :: 0.715 HD21 :: 0.662 HD22 :: 0.662 HD23 :: 0.662 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 129.798 Ave N Shift Values>> N :: 121.86(3.9) 1.G13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.06 C 0.03 C Shift Assignments>> C :: 176.414 CA :: 46.047 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.107 HA2 :: 3.785 HA3 :: 4.313 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.046 Ave N Shift Values>> N :: 109.67(3.87) 1.F14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.71 C 0.28 C Shift Assignments>> C :: 171.413 CA :: 56.446 CB :: 40.589 CD1 :: 132.586 CD2 :: 132.586 CE1 :: 130.836 CE2 :: 130.836 CZ :: 128.081 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 7.762 HA :: 4.994 HB2 :: 3.414 HB3 :: 2.895 HD1 :: 6.63 HD2 :: 6.63 HE1 :: 6.749 HE2 :: 6.749 HZ :: 6.701 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 :: 118.101 Ave N Shift Values>> N :: 120.45(4.18) 1.S15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.233 CA :: 56.202 CB :: 64.34 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.596 HA :: 5.728 HB2 :: 3.385 HB3 :: 3.385 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 :: 113.643 Ave N Shift Values>> N :: 116.28(3.52) 1.I16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.77 G 0.11 A 0.08 I 0.02 C Shift Assignments>> C :: 174.309 CA :: 57.777 CB :: 42.936 CG1 :: 25.159 CG2 :: 20.309 CD1 :: 14.981 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 :: 8.586 HA :: 5.646 HB :: 1.714 HG12 :: 1.511 HG13 :: 0.756 HG21 :: 0.811 HG22 :: 0.811 HG23 :: 0.811 HD11 :: 0.297 HD12 :: 0.297 HD13 :: 0.297 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 :: 113.802 Ave N Shift Values>> N :: 121.46(4.28) 1.A17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.56 L 0.22 C 0.12 K 0.05 R 0.01 C Shift Assignments>> C :: 176.334 CA :: 50.417 CB :: 24.965 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.989 HA :: 4.948 HB1 :: 1.155 HB2 :: 1.155 HB3 :: 1.155 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.454 Ave N Shift Values>> N :: 123.23(3.54) 1.G18 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.46 L 0.25 R 0.14 C 0.04 F 0.03 D 0.02 Y 0.01 C Shift Assignments>> C :: 175.215 CA :: 44.414 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.784 HA2 :: 4.452 HA3 :: 5.293(S) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.358 Ave N Shift Values>> N :: 109.67(3.87) 1.G19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.34 L 0.3 G 0.15 D 0.05 F 0.04 C 0.04 Y 0.02 K 0.01 C Shift Assignments>> C :: 174.885 CA :: 43.736 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 6.333 HA2 :: 4.413 HA3 :: 3.94 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.452 Ave N Shift Values>> N :: 109.67(3.87) 1.V20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.81 C 0.18 C Shift Assignments>> C :: 178.972 CA :: 64.408 CB :: 31.815 CG1 :: 20.544 CG2 :: 20.432 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 :: 8.622 HA :: 3.459 HB :: 1.394 HG11 :: 0.738 HG12 :: 0.738 HG13 :: 0.738 HG21 :: 0.704 HG22 :: 0.704 HG23 :: 0.704 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 :: 121.672 Ave N Shift Values>> N :: 121.14(4.54) 1.G21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 L 0.12 C 0.03 R 0.02 F 0.01 C Shift Assignments>> C :: 173.628 CA :: 45.132 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.408 HA2 :: 4.125 HA3 :: 3.651 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 118.703 Ave N Shift Values>> N :: 109.67(3.87) 1.N22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.35 N 0.3 L 0.14 F 0.06 C 0.05 Y 0.04 K 0.02 HN Overlap>> 1.Y32 1.Y32 C Shift Assignments>> C :: 174.739 CA :: 52.583 CB :: 40.537 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 :: 8.461 HA :: 4.759 HB2 :: 2.506 HB3 :: 2.178 HD21 :: 7.345 HD22 :: 7.067 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 :: 123.704 ND2 :: 113.703 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.Q23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.32 Q 0.25 K 0.22 R 0.1 E 0.04 I 0.02 M 0.01 C Shift Assignments>> C :: 178.45 CA :: 58.348 CB :: 27.97 CG :: 33.722 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 :: 8.256 HA :: 4.031 HB2 :: 2.126 HB3 :: 1.778 HG2 :: 2.632 HG3 :: 2.537 HE21 :: 7.612 HE22 :: 6.949 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 116.672 NE2 :: 112.453 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.H24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 H 0.47 C Shift Assignments>> C :: 174.784 CA :: 57.275 CB :: 32.015 CD2 :: 119.018 CE1 :: 138.77 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 :: 10.208 HA :: 4.606 HB2 :: 3.04 HB3 :: 2.967 HD2 :: 6.001 HE1 :: 7.616 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 :: 124.954 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.I25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.67 I 0.25 A 0.06 C Shift Assignments>> C :: 173.277 CA :: 56.852 CB :: 41.654 CG1 :: 27.217 CG2 :: 16.274 CD1 :: 12.258 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 :: 6.876 HA :: 4.128 HB :: 1.506 HG12 :: 0.977 HG13 :: 0.603 HG21 :: 0.716 HG22 :: 0.716 HG23 :: 0.716 HD11 :: 0.352 HD12 :: 0.352 HD13 :: 0.352 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 :: 118.078 Ave N Shift Values>> N :: 121.46(4.28) 1.P26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.82 C 0.17 C Shift Assignments>> C :: 177.986 CA :: 64.316 CB :: 31.496 CG :: 27.574 CD :: 50.703 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 :: 4.042 HB2 :: 2.144 HB3 :: 1.736 HG2 :: 1.949 HG3 :: 1.755 HD2 :: 3.61 HD3 :: 3.389 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.G27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.08 C 0.02 C Shift Assignments>> C :: 172.836 CA :: 45.5 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.189 HA2 :: 4.091 HA3 :: 3.671 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.14 Ave N Shift Values>> N :: 109.67(3.87) 1.D28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.3 G 0.2 R 0.18 D 0.17 C 0.04 F 0.02 K 0.02 N 0.01 Y 0.01 C Shift Assignments>> C :: 176.457 CA :: 52.276 CB :: 43.481 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 :: 8.079 HA :: 4.786 HB2 :: 3.148 HB3 :: 2.306 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 :: 121.829 Ave N Shift Values>> N :: 120.65(3.86) 1.N29 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> N 0.39 D 0.22 F 0.09 Y 0.09 C 0.09 L 0.07 C Shift Assignments>> C :: 176.663 CA :: 53.79 CB :: 39.221 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 9.569 HA :: 4.818 HB2 :: 2.839 HB3 :: 2.79 HD21 :: 9.151(S) HD22 :: 7.169 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 :: 125.11 ND2 :: 119.641 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.S30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 171.612 CA :: 60.354 CB :: 62.876 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.784 HA :: 4.237 HB2 :: 3.64 HB3 :: 3.347 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 :: 116.047 Ave N Shift Values>> N :: 116.28(3.52) 1.I31 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.91 A 0.08 C Shift Assignments>> C :: 174.911 CA :: 57.573 CB :: 35.22 CG1 :: 26.81 CG2 :: 19.392 CD1 :: 7.921(S) 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 :: 9.239 HA :: 4.595 HB :: 2.124 HG12 :: 1.86 HG13 :: 0.984 HG21 :: 0.719 HG22 :: 0.719 HG23 :: 0.719 HD11 :: 0.401 HD12 :: 0.401 HD13 :: 0.401 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 :: 123.235 Ave N Shift Values>> N :: 121.46(4.28) 1.Y32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.47 G 0.3 C 0.21 HN Overlap>> 1.N22 1.N22 C Shift Assignments>> C :: 175.619 CA :: 56.763 CB :: 43.697 CD1 :: 133.7 CD2 :: 133.7 CE1 :: 117.706 CE2 :: 117.706 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 :: 8.351 HA :: 5.245 HB2 :: 2.459 HB3 :: 1.859 HD1 :: 6.844 HD2 :: 6.844 HE1 :: 6.563 HE2 :: 6.563 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 :: 123.704 Ave N Shift Values>> N :: 120.52(4.2) 1.V33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.67 C 0.32 C Shift Assignments>> C :: 178.077 CA :: 62.371 CB :: 32.157 CG1 :: 21.746 CG2 :: 21.746 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 :: 8.586 HA :: 4.472 HB :: 2.052 HG11 :: 0.668 HG12 :: 0.668 HG13 :: 0.668 HG21 :: 0.567 HG22 :: 0.567 HG23 :: 0.567 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 :: 119.953 Ave N Shift Values>> N :: 121.14(4.54) 1.T34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.66 T 0.32 C Shift Assignments>> C :: 175.148 CA :: 62.209 CB :: 69.111 CG2 :: 24.305 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 :: 8.821 HA :: 4.392 HB :: 4.051 HG21 :: 0.632 HG22 :: 0.632 HG23 :: 0.632 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 118.547 Ave N Shift Values>> N :: 115.42(4.75) 1.K35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 K 0.25 R 0.16 G 0.01 C Shift Assignments>> C :: 174.552 CA :: 56.192 CB :: 37.105 CG :: 24.985 CD :: 28.88 CE :: 42.038 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 :: 7.103 HA :: 4.309 HB2 :: 1.601 HB3 :: 1.498 HG2 :: 1.296 HG3 :: 1.094 HD2 :: 1.517 HD3 :: 1.451 HE2 :: 2.813 HE3 :: 2.813 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 :: 120.422 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.58 C 0.41 C Shift Assignments>> C :: 175.162 CA :: 59.726 CB :: 38.638 CG1 :: 26.922 CG2 :: 17.226 CD1 :: 11.548 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 :: 8.534 HA :: 4.248 HB :: 1.752 HG12 :: 1.281 HG13 :: 0.991 HG21 :: 0.794 HG22 :: 0.794 HG23 :: 0.794 HD11 :: 0.368 HD12 :: 0.368 HD13 :: 0.368 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 :: 123.86 Ave N Shift Values>> N :: 121.46(4.28) 1.I37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.71 I 0.27 C Shift Assignments>> C :: 176.635 CA :: 59.474 CB :: 36.751 CG1 :: 26.91 CG2 :: 16.805 CD1 :: 10.004 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 :: 7.661 HA :: 3.864 HB :: 1.593 HG12 :: 1.165 HG13 :: 0.973 HG21 :: 0.712 HG22 :: 0.712 HG23 :: 0.712 HD11 :: 0.483 HD12 :: 0.483 HD13 :: 0.483 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 :: 126.517 Ave N Shift Values>> N :: 121.46(4.28) 1.E38 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Suspicious PRTL>> E 0.33 C 0.33 I 0.12 K 0.11 Q 0.07 C Shift Assignments>> C :: 177.513 CA :: 58.253 CB :: 28.683 CG :: 36.031 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.1 HA :: 2.982 HB2 :: 1.723 HB3 :: 1.657 HG2 :: 1.887 HG3 :: 1.887 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 :: 133.392(S) Ave N Shift Values>> N :: 120.67(3.48) 1.G39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.82 L 0.1 C 0.02 R 0.01 F 0.01 C Shift Assignments>> C :: 174.801 CA :: 45.248 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.496 HA2 :: 4.117 HA3 :: 3.724 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 116.359 Ave N Shift Values>> N :: 109.67(3.87) 1.G40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.49 L 0.24 R 0.13 C 0.04 F 0.03 D 0.02 Y 0.01 C Shift Assignments>> C :: 173.464 CA :: 44.466 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.661 HA2 :: 4.154 HA3 :: 3.832 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.514 Ave N Shift Values>> N :: 109.67(3.87) 1.A41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.6 A 0.3 I 0.05 C 0.03 C Shift Assignments>> C :: 181.23 CA :: 55.62 CB :: 18.069 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.615 HA :: 3.983 HB1 :: 1.549 HB2 :: 1.549 HB3 :: 1.549 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.266 Ave N Shift Values>> N :: 123.23(3.54) 1.A42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.47 M 0.47 C 0.02 I 0.02 C Shift Assignments>> C :: 181.244 CA :: 54.699 CB :: 18.155 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.145 HA :: 4.162 HB1 :: 1.371 HB2 :: 1.371 HB3 :: 1.371 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.485 Ave N Shift Values>> N :: 123.23(3.54) 1.H43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.67 H 0.32 C Shift Assignments>> C :: 177.013 CA :: 59.487 CB :: 32.534 CD2 :: 117.961 CE1 :: 138.82 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 :: 9.731 HA :: 4.02 HB2 :: 3.143 HB3 :: 3.085 HD2 :: 7.067 HE1 :: 7.682 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 :: 125.266 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.K44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 K 0.44 R 0.1 C Shift Assignments>> C :: 178.597 CA :: 59 CB :: 32.206 CG :: 25.164 CD :: 28.953 CE :: 41.902 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 :: 8.33 HA :: 3.65 HB2 :: 1.736 HB3 :: 1.704 HG2 :: 1.411 HG3 :: 1.311 HD2 :: 1.515 HD3 :: 1.515 HE2 :: 2.852 HE3 :: 2.852 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 :: 117.968 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.33 L 0.26 G 0.12 F 0.07 C 0.07 Y 0.04 D 0.04 K 0.02 C Shift Assignments>> C :: 177.728 CA :: 56.991 CB :: 43.878 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 :: 7.382 HA :: 4.306 HB2 :: 2.641 HB3 :: 2.319 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 116.828 Ave N Shift Values>> N :: 120.65(3.86) 1.G46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.06 C 0.03 C Shift Assignments>> C :: 174.612 CA :: 46.29 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.345 HA2 :: 3.881 HA3 :: 3.728 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 103.389 Ave N Shift Values>> N :: 109.67(3.87) 1.K47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 K 0.44 R 0.09 C Shift Assignments>> C :: 177.736 CA :: 58.426 CB :: 33.973 CG :: 25.423 CD :: 29.036 CE :: 41.813 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 :: 7.705 HA :: 4.056 HB2 :: 1.724 HB3 :: 1.514 HG2 :: 1.404 HG3 :: 1.166 HD2 :: 1.752 HD3 :: 1.598 HE2 :: 2.985 HE3 :: 2.91 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 :: 119.797 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L48 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.56 C 0.25 G 0.11 R 0.06 C Shift Assignments>> C :: 174.994 CA :: 55.12 CB :: 43.5 CG :: 25.796 CD1 :: 26.219 CD2 :: 24.384 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 :: 9.32 HA :: 3.752 HB2 :: 1.215 HB3 :: 1.129 HG :: -0.351(S) HD11 :: 1.113 HD12 :: 1.113 HD13 :: 1.113 HD21 :: 0.539 HD22 :: 0.539 HD23 :: 0.539 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 :: 124.641 Ave N Shift Values>> N :: 121.86(3.9) 1.Q49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.51 C 0.39 Q 0.07 E 0.01 C Shift Assignments>> C :: 175.142 CA :: 53.438 CB :: 33.34 CG :: 33.783 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 :: 8.615 HA :: 4.418 HB2 :: 1.872 HB3 :: 1.684 HG2 :: 2.166 HG3 :: 2.087 HE21 :: 7.147 HE22 :: 6.678 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 :: 123.391 NE2 :: 113.859 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.I50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.83 C 0.16 C Shift Assignments>> C :: 177.797 CA :: 63.845 CB :: 37.478 CG1 :: 28.182 CG2 :: 17.391 CD1 :: 13.431 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 :: 8.336 HA :: 3.196 HB :: 1.513 HG12 :: 1.48 HG13 :: 0.629 HG21 :: 0.739 HG22 :: 0.739 HG23 :: 0.739 HD11 :: 0.797 HD12 :: 0.797 HD13 :: 0.797 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 119.953 Ave N Shift Values>> N :: 121.46(4.28) 1.G51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.45 L 0.25 R 0.15 C 0.04 F 0.03 D 0.02 Y 0.01 C Shift Assignments>> C :: 174.161 CA :: 44.392 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.07 HA2 :: 4.36 HA3 :: 3.531 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 116.828 Ave N Shift Values>> N :: 109.67(3.87) 1.D52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.22 F 0.19 Y 0.17 L 0.16 C 0.09 N 0.08 K 0.04 I 0.02 C Shift Assignments>> C :: 174.62 CA :: 55.878 CB :: 40.328 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 :: 7.771 HA :: 4.472 HB2 :: 2.472 HB3 :: 2.079 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 :: 121.985 Ave N Shift Values>> N :: 120.65(3.86) 1.K53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.53 C 0.39 R 0.06 C Shift Assignments>> C :: 176.414 CA :: 53.976 CB :: 34.984 CG :: 24.972 CD :: 29.69 CE :: 41.489 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 :: 8.234 HA :: 4.55 HB2 :: 1.572 HB3 :: 1.531 HG2 :: 0.801 HG3 :: 0.618 HD2 :: 1.496 HD3 :: 1.421 HE2 :: 2.805 HE3 :: 2.623 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 :: 121.36 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.57 C 0.21 R 0.17 G 0.03 C Shift Assignments>> C :: 174.622 CA :: 54 CB :: 42.678 CG :: 27.334 CD1 :: 26.517 CD2 :: 24.713 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 :: 8.373 HA :: 4.361 HB2 :: 1.325 HB3 :: 1.06 HG :: 1.327 HD11 :: 0.703 HD12 :: 0.703 HD13 :: 0.703 HD21 :: 0.515 HD22 :: 0.515 HD23 :: 0.515 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 :: 124.954 Ave N Shift Values>> N :: 121.86(3.9) 1.L55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.57 C 0.27 R 0.09 A 0.04 G 0.02 C Shift Assignments>> C :: 178.923 CA :: 55.465 CB :: 42.566 CG :: 26.995 CD1 :: 25.601 CD2 :: 22.674 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 :: 8.938 HA :: 4.185 HB2 :: 1.428 HB3 :: 1.232 HG :: 1.315 HD11 :: 0.644 HD12 :: 0.644 HD13 :: 0.644 HD21 :: 0.622 HD22 :: 0.622 HD23 :: 0.622 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 :: 121.672 Ave N Shift Values>> N :: 121.86(3.9) 1.A56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.43 A 0.41 C 0.11 K 0.02 C Shift Assignments>> C :: 175.185 CA :: 52.335 CB :: 22.343 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.815 HA :: 4.895 HB1 :: 1.141 HB2 :: 1.141 HB3 :: 1.141 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.266 Ave N Shift Values>> N :: 123.23(3.54) 1.V57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.69 V 0.28 A 0.01 C Shift Assignments>> C :: 173.653 CA :: 58.587 CB :: 33.536 CG1 :: 22.416 CG2 :: 19.331 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 :: 8.41 HA :: 4.801 HB :: 1.642 HG11 :: 0.75 HG12 :: 0.75 HG13 :: 0.75 HG21 :: 0.733 HG22 :: 0.733 HG23 :: 0.733 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 116.984 Ave N Shift Values>> N :: 121.14(4.54) 1.N58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.24 C 0.23 M 0.15 N 0.13 Y 0.07 K 0.04 F 0.04 Q 0.03 I 0.01 C Shift Assignments>> C :: 174.763 CA :: 54.849 CB :: 36.205 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 9.804 HA :: 4.308 HB2 :: 3.103 HB3 :: 2.917 HD21 :: 7.955 HD22 :: 7.067 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 :: 128.079 ND2 :: 111.984 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.N59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.43 C 0.15 Y 0.1 F 0.08 D 0.08 E 0.05 M 0.03 L 0.02 C Shift Assignments>> C :: 174.338 CA :: 54.05 CB :: 37.839 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 :: 8.547 HA :: 4.401 HB2 :: 2.844 HB3 :: 2.844 HD21 :: 7.47 HD22 :: 6.824 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>> ND2 :: 113.234 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.V60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.71 C 0.28 C Shift Assignments>> C :: 175.014 CA :: 62.863 CB :: 31.711 CG1 :: 20.931 CG2 :: 20.773 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 :: 8.703 HA :: 3.884 HB :: 2.234 HG11 :: 0.878 HG12 :: 0.878 HG13 :: 0.878 HG21 :: 0.709 HG22 :: 0.709 HG23 :: 0.709 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 124.173 Ave N Shift Values>> N :: 121.14(4.54) 1.C61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.33 C 0.23 R 0.11 K 0.06 Q 0.06 E 0.05 H 0.04 P 0.04 L 0.02 C Shift Assignments>> C :: 174.857 CA :: 60.252 CB :: 27.689 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.578 HA :: 4.028 HB2 :: 3.069 HB3 :: 2.712 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 :: 127.767 Ave N Shift Values>> N :: 120.17(4.64) 1.L62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.61 C 0.26 A 0.06 R 0.04 C Shift Assignments>> C :: 175.872 CA :: 53.785 CB :: 41.643 CG :: 26.714 CD1 :: 23.262 CD2 :: 26.486 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 :: 8.138 HA :: 4.538 HB2 :: 1.542 HB3 :: 1.005 HG :: 1.513 HD11 :: 0.606 HD12 :: 0.606 HD13 :: 0.606 HD21 :: 0.523 HD22 :: 0.523 HD23 :: 0.523 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 :: 126.517 Ave N Shift Values>> N :: 121.86(3.9) 1.E63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.63 E 0.23 M 0.08 I 0.04 C Shift Assignments>> C :: 174.772 CA :: 57.288 CB :: 31.346 CG :: 38.089 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 :: 8.035 HA :: 4.31 HB2 :: 1.931 HB3 :: 1.826 HG2 :: 2.289 HG3 :: 2.017 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 :: 122.61 Ave N Shift Values>> N :: 120.67(3.48) 1.E64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 E 0.15 Q 0.13 K 0.12 I 0.05 R 0.04 C Shift Assignments>> C :: 175.032 CA :: 56.09 CB :: 26.629 CG :: 35.555 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.505 HA :: 3.5 HB2 :: 1.995 HB3 :: 1.919 HG2 :: 2.202 HG3 :: 1.964 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 :: 121.829 Ave N Shift Values>> N :: 120.67(3.48) 1.V65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.86 V 0.11 A 0.02 C Shift Assignments>> C :: 176.703 CA :: 58.461 CB :: 34.29 CG1 :: 21.73 CG2 :: 17.969 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 :: 8.498 HA :: 4.768 HB :: 2.282 HG11 :: 0.688 HG12 :: 0.688 HG13 :: 0.688 HG21 :: 0.587 HG22 :: 0.587 HG23 :: 0.587 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 :: 113.078 Ave N Shift Values>> N :: 121.14(4.54) 1.T66 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 :: 175.037 CA :: 61.408 CB :: 70.783 CG2 :: 21.772 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 :: 8.578 HA :: 4.522 HB :: 4.724 HG21 :: 1.21 HG22 :: 1.21 HG23 :: 1.21 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 :: 110.89 Ave N Shift Values>> N :: 115.42(4.75) 1.H67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.9 H 0.09 C Shift Assignments>> C :: 177.03 CA :: 61.175 CB :: 28.806 CD2 :: 127.599 CE1 :: 137.206 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 :: 9.687 HA :: 3.757 HB2 :: 3.388 HB3 :: 2.995 HD2 :: 6.578 HE1 :: 7.682 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 :: 121.516 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.E68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 I 0.35 E 0.22 K 0.03 C Shift Assignments>> C :: 179.56 CA :: 60.12 CB :: 28.88 CG :: 36.927 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 :: 8.733 HA :: 3.797 HB2 :: 1.973 HB3 :: 1.814 HG2 :: 2.321 HG3 :: 2.176 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 :: 114.797 Ave N Shift Values>> N :: 120.67(3.48) 1.E69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 E 0.24 I 0.23 M 0.01 K 0.01 C Shift Assignments>> C :: 179.757 CA :: 59.327 CB :: 30.028 CG :: 37.706 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 :: 7.764 HA :: 3.778 HB2 :: 2.25 HB3 :: 1.724 HG2 :: 2.211 HG3 :: 2.111 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.578 Ave N Shift Values>> N :: 120.67(3.48) 1.A70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.49 A 0.43 I 0.03 C 0.02 C Shift Assignments>> C :: 178.278 CA :: 55.025 CB :: 18.283 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.823 HA :: 3.746 HB1 :: 1.128 HB2 :: 1.128 HB3 :: 1.128 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.766 Ave N Shift Values>> N :: 123.23(3.54) 1.V71 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 :: 177.857 CA :: 67.534 CB :: 31.787 CG1 :: 21.945 CG2 :: 24.502 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 :: 8.234 HA :: 2.966 HB :: 1.908 HG11 :: 0.707 HG12 :: 0.707 HG13 :: 0.707 HG21 :: 0.546 HG22 :: 0.546 HG23 :: 0.546 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 :: 117.453 Ave N Shift Values>> N :: 121.14(4.54) 1.T72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.97 C 0.02 HN Overlap>> 1.S78 1.S78 C Shift Assignments>> C :: 175.951 CA :: 66.988 CB :: 68.65 CG2 :: 21.581 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 :: 8.241 HA :: 3.575 HB :: 4.007 HG21 :: 1.071 HG22 :: 1.071 HG23 :: 1.071 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 :: 115.578 Ave N Shift Values>> N :: 115.42(4.75) 1.A73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.49 A 0.44 I 0.02 C 0.02 C Shift Assignments>> C :: 179.566 CA :: 54.876 CB :: 18.158 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.61 HA :: 3.952 HB1 :: 1.267 HB2 :: 1.267 HB3 :: 1.267 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.672 Ave N Shift Values>> N :: 123.23(3.54) 1.L74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 L 0.27 R 0.26 G 0.01 K 0.01 C Shift Assignments>> C :: 178.991 CA :: 57.626 CB :: 42.266 CG :: 28.077 CD1 :: 23.956 CD2 :: 26.473 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 :: 7.8 HA :: 3.795 HB2 :: 1.783 HB3 :: 0.998 HG :: 1.535 HD11 :: 0.686 HD12 :: 0.686 HD13 :: 0.686 HD21 :: 0.639 HD22 :: 0.639 HD23 :: 0.639 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 115.734 Ave N Shift Values>> N :: 121.86(3.9) 1.K75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 K 0.39 R 0.16 C Shift Assignments>> C :: 178.342 CA :: 58.529 CB :: 32.717 CG :: 25.842 CD :: 29.407 CE :: 41.976 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 :: 8.498 HA :: 4.148 HB2 :: 1.72 HB3 :: 1.72 HG2 :: 1.532 HG3 :: 1.282 HD2 :: 1.51 HD3 :: 1.434 HE2 :: 2.812 HE3 :: 2.728 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 :: 119.641 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.N76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.54 C 0.18 E 0.06 M 0.06 Y 0.05 F 0.03 D 0.03 C Shift Assignments>> C :: 175.178 CA :: 52.587 CB :: 36.972 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 :: 7.646 HA :: 4.819 HB2 :: 2.835 HB3 :: 2.697 HD21 :: 7.632 HD22 :: 6.795 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 120.11 ND2 :: 112.14 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.T77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.64 C 0.35 C Shift Assignments>> C :: 174.593 CA :: 60.044 CB :: 72.015 CG2 :: 22.295 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 :: 7.492 HA :: 4.299 HB :: 4.122 HG21 :: 1.129 HG22 :: 1.129 HG23 :: 1.129 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 :: 110.198 Ave N Shift Values>> N :: 115.42(4.75) 1.S78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.T72 1.T72 C Shift Assignments>> C :: 172.696 CA :: 57.504 CB :: 64.027 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.344 HA :: 4.384 HB2 :: 3.767 HB3 :: 3.767 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 :: 115.578 Ave N Shift Values>> N :: 116.28(3.52) 1.D79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.25 Y 0.22 D 0.14 L 0.13 C 0.11 K 0.04 I 0.04 N 0.03 C Shift Assignments>> C :: 175.068 CA :: 56.89 CB :: 40.302 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 :: 8.329 HA :: 4.03 HB2 :: 2.436 HB3 :: 2.436 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 117.766 Ave N Shift Values>> N :: 120.65(3.86) 1.F80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.7 C 0.29 C Shift Assignments>> C :: 175.074 CA :: 56.767 CB :: 40.077 CD1 :: 131.341 CD2 :: 131.341 CE1 :: 131.66 CE2 :: 131.66 CZ :: 129.77 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 7.756 HA :: 4.891 HB2 :: 2.862 HB3 :: 2.591 HD1 :: 7.214 HD2 :: 7.214 HE1 :: 7.007 HE2 :: 7.007 HZ :: 7.175 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 117.766 Ave N Shift Values>> N :: 120.45(4.18) 1.V81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.56 C 0.43 C Shift Assignments>> C :: 173.519 CA :: 61.422 CB :: 34.47 CG1 :: 22.066 CG2 :: 22.265 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 :: 8.975 HA :: 4.329 HB :: 1.727 HG11 :: 0.821 HG12 :: 0.821 HG13 :: 0.821 HG21 :: 0.773 HG22 :: 0.773 HG23 :: 0.773 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 123.547 Ave N Shift Values>> N :: 121.14(4.54) 1.Y82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.64 C 0.35 C Shift Assignments>> C :: 175.994 CA :: 56.847 CB :: 38.647 CD1 :: 133.375 CD2 :: 133.375 CE1 :: 117.615 CE2 :: 117.615 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 :: 8.711 HA :: 4.895 HB2 :: 2.951 HB3 :: 2.746 HD1 :: 7.024 HD2 :: 7.024 HE1 :: 6.631 HE2 :: 6.631 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 :: 125.266 Ave N Shift Values>> N :: 120.52(4.2) 1.L83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.39 L 0.38 C 0.16 R 0.03 A 0.01 C Shift Assignments>> C :: 175.47 CA :: 53.328 CB :: 44.374 CG :: 26.37 CD1 :: 24.254 CD2 :: 26.522 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 :: 9.386 HA :: 4.947 HB2 :: 1.633 HB3 :: 1.096 HG :: 1.509 HD11 :: 0.73 HD12 :: 0.73 HD13 :: 0.73 HD21 :: 0.648 HD22 :: 0.648 HD23 :: 0.648 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 :: 125.891 Ave N Shift Values>> N :: 121.86(3.9) 1.K84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.5 C 0.37 R 0.11 C Shift Assignments>> C :: 175.87 CA :: 55.628 CB :: 34.332 CG :: 25.293 CD :: 29.226 CE :: 41.833 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 :: 8.204 HA :: 4.956 HB2 :: 1.624 HB3 :: 1.624 HG2 :: 1.406 HG3 :: 1.152 HD2 :: 1.485 HD3 :: 1.485 HE2 :: 2.768 HE3 :: 2.768 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 123.704 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.72 V 0.26 C Shift Assignments>> C :: 174.365 CA :: 59.459 CB :: 36 CG1 :: 21.346 CG2 :: 20.202 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 :: 8.791 HA :: 5.067 HB :: 1.759 HG11 :: 0.629 HG12 :: 0.629 HG13 :: 0.629 HG21 :: 0.566 HG22 :: 0.566 HG23 :: 0.566 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 :: 121.516 Ave N Shift Values>> N :: 121.14(4.54) 1.A86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.88 L 0.05 C 0.04 C Shift Assignments>> C :: 176.458 CA :: 50.39 CB :: 21.205 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.07 HA :: 4.716 HB1 :: 1.235 HB2 :: 1.235 HB3 :: 1.235 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.517 Ave N Shift Values>> N :: 123.23(3.54) 1.K87 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.76 R 0.17 A 0.01 K 0.01 G 0.01 C Shift Assignments>> C :: 175.187 CA :: 53.058 CB :: 31.499 CG :: 24.744 CD :: 25.218(S) CE :: 41.572 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 :: 8.52 HA :: 4.648 HB2 :: 1.737 HB3 :: 1.583 HG2 :: 1.412 HG3 :: 1.412 HD2 :: 1.407 HD3 :: 1.407 HE2 :: 2.845 HE3 :: 2.845 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 :: 124.641 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.P88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.74 C 0.25 C Shift Assignments>> C :: 177.355 CA :: 63.329 CB :: 31.905 CG :: 27.622 CD :: 51.092 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 :: 4.465 HB2 :: 2.236 HB3 :: 1.832 HG2 :: 1.958 HG3 :: 1.958 HD2 :: 3.888 HD3 :: 3.553 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.T89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.9 C 0.09 HN Overlap>> 1.K10 1.K10 C Shift Assignments>> C :: 175.322 CA :: 61.881 CB :: 69.765 CG2 :: 21.412 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 :: 8.287 HA :: 4.213 HB :: 4.124 HG21 :: 1.113 HG22 :: 1.113 HG23 :: 1.113 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 :: 114.178 Ave N Shift Values>> N :: 115.42(4.75) 1.G90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.78 L 0.12 C 0.03 R 0.02 F 0.01 C Shift Assignments>> C :: 174.177 CA :: 45.103 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.336 HA2 :: 3.895 HA3 :: 3.876 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.89 Ave N Shift Values>> N :: 109.67(3.87) 1.S91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.472 CA :: 58.223 CB :: 63.594 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.131 HA :: 4.244 HB2 :: 3.645 HB3 :: 3.645 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 :: 115.265 Ave N Shift Values>> N :: 116.28(3.52) 1.H92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.18 Q 0.17 R 0.15 E 0.14 C 0.13 K 0.12 M 0.07 C Shift Assignments>> C :: 174.528 CA :: 55.665 CB :: 29.789 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 :: 8.395 HA :: 4.497 HB2 :: 2.985 HB3 :: 2.904 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 :: 120.578 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.H93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.17 Q 0.17 R 0.15 E 0.14 K 0.13 C 0.13 M 0.06 C Shift Assignments>> C :: 173.781 CA :: 55.721 CB :: 29.636 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 :: 8.52 HA :: 4.47 HB2 :: 2.975 HB3 :: 2.898 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 :: 120.578 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.H94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.17 H 0.16 Q 0.15 R 0.15 C 0.14 K 0.12 M 0.05 I 0.02 C Shift Assignments>> C :: 178.977 CA :: 57.223 CB :: 29.822 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 :: 8.16 HA :: 4.296 HB2 :: 3.083 HB3 :: 2.954 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 :: 125.178 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.H95 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H96 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H97 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.PCA1 Overall Status: Residue type PCA not supported. 2.R2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.48 C 0.39 K 0.06 G 0.05 C Shift Assignments>> C :: 176.623 CA :: 56.386 CB :: 30.571 CG :: 27.056 CD :: 43.163 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 :: 8.454 HA :: 4.272 HB2 :: 1.764 HB3 :: 1.684 HG2 :: 1.53 HG3 :: 1.51 HD2 :: 3.088 HD3 :: 3.088 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 121.216 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 2.T3 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 :: 174.326 CA :: 61.631 CB :: 69.826 CG2 :: 21.551 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 :: 8.136 HA :: 4.209 HB :: 4.08 HG21 :: 1.086 HG22 :: 1.086 HG23 :: 1.086 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 :: 115.459 Ave N Shift Values>> N :: 115.42(4.75) 2.R4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.5 C 0.37 G 0.05 K 0.05 C Shift Assignments>> C :: 175.965 CA :: 55.942 CB :: 30.738 CG :: 26.978 CD :: 43.222 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 :: 8.306 HA :: 4.219 HB2 :: 1.734 HB3 :: 1.644 HG2 :: 1.505 HG3 :: 1.505 HD2 :: 3.085 HD3 :: 3.085 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 :: 123.473 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 2.Q5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.5 C 0.38 E 0.1 C Shift Assignments>> C :: 175.682 CA :: 55.808 CB :: 29.425 CG :: 33.681 CD :: 180.462 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 :: 8.375 HA :: 4.183 HB2 :: 1.957 HB3 :: 1.867 HG2 :: 2.238 HG3 :: 2.238 HE21 :: 7.447 HE22 :: 6.77 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 :: 122.452 NE2 :: 112.62 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 2.R6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.57 C 0.36 G 0.05 C Shift Assignments>> C :: 175.682 CA :: 55.21 CB :: 31.169 CG :: 26.978 CD :: 43.118 CZ :: 159.566 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 :: 8.319 HA :: 4.257 HB2 :: 1.724 HB3 :: 1.59 HG2 :: 1.508 HG3 :: 1.451 HD2 :: 3.126 HD3 :: 2.977 HE :: 7.167 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 122.773 NE :: 84.558 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 2.N7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.64 D 0.23 C 0.11 C Shift Assignments>> C :: 173.808 CA :: 53.528 CB :: 39.536 CG :: 176.517 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 :: 8.791 HA :: 4.551 HB2 :: 2.258 HB3 :: 2.083 HD21 :: 7.13 HD22 :: 6.65 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 121.12 ND2 :: 112.22 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 2.E8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 M 0.3 E 0.19 Q 0.01 C Shift Assignments>> C :: 175.881 CA :: 54.958 CB :: 32.946 CG :: 36.392 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 :: 7.825 HA :: 5.17 HB2 :: 1.784 HB3 :: 1.712 HG2 :: 1.937 HG3 :: 1.937 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 :: 121.441 Ave N Shift Values>> N :: 120.67(3.48) 2.T9 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 :: 172.841 CA :: 62.492 CB :: 70.324 CG2 :: 22.249 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 :: 8.817 HA :: 4.49 HB :: 3.485 HG21 :: 1.123 HG22 :: 1.123 HG23 :: 1.123 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 :: 120.691 Ave N Shift Values>> N :: 115.42(4.75) 2.Q10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.49 C 0.41 E 0.09 C Shift Assignments>> C :: 174.494 CA :: 56.397 CB :: 29.409 CG :: 33.693 CD :: 180.162 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.621 HA :: 4.54 HB2 :: 1.81 HB3 :: 1.766 HG2 :: 2.138 HG3 :: 2.024 HE21 :: 7.762 HE22 :: 6.668 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 :: 128.48 NE2 :: 112.466 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 2.V11 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.54 V 0.45 C Shift Assignments>> C :: 180.853 CA :: 61.31 CB :: 33.968 CG1 :: 21.576 CG2 :: 18.837 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 :: 8.865 HA :: 4.179 HB :: 1.867 HG11 :: 0.52 HG12 :: 0.52 HG13 :: 0.52 HG21 :: -0.156(S) HG22 :: -0.156(S) HG23 :: -0.156(S) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 125.66 Ave N Shift Values>> N :: 121.14(4.54) ########################################################################### Overall Results: #Consistent: 99 #Clerical: 0 #Suspicious: 8 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 104 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 3 Shift Relative Order (SRO) Results: #Consistent: 107 #Suspicious: 0 C Shift Results: #Consistent: 453 #Duplicate: 0 #Unknown: 0 #Suspicious: 2 #Anomalous: 0 H Shift Results: #Consistent: 724 #Duplicate: 0 #Unknown: 0 #Suspicious: 7 #Anomalous: 0 N Shift Results: #Consistent: 109 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 Error Summary: 1.L12 H = 11.668(S), Expected = 8.23, Std = 0.6500, ChiSquare = 1.2283e-07 1.G18 HA3 = 5.293(S), Expected = 3.90, Std = 0.3700, ChiSquare = 1.6664e-04 1.N29 HD21 = 9.151(S), Expected = 7.35, Std = 0.4800, ChiSquare = 1.7537e-04 1.I31 CD1 = 7.921(S), Expected = 13.43, Std = 1.6700, ChiSquare = 9.7098e-04 1.E38 N = 133.392(S), Expected = 120.67, Std = 3.4800, ChiSquare = 2.5643e-04 1.L48 HG = -0.351(S), Expected = 1.51, Std = 0.3300, ChiSquare = 1.7065e-08 1.K87 CD = 25.218(S), Expected = 28.96, Std = 1.0800, ChiSquare = 5.3060e-04 2.V11 HG21 = -0.156(S), Expected = 0.80, Std = 0.2800, ChiSquare = 6.3949e-04 2.V11 HG22 = -0.156(S), Expected = 0.80, Std = 0.2800, ChiSquare = 6.3949e-04 2.V11 HG23 = -0.156(S), Expected = 0.80, Std = 0.2800, ChiSquare = 6.3949e-04