Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.Q1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.29 C 0.24 K 0.23 E 0.12 M 0.08 R 0.01 HN Overlap>> 1.L80 1.L9 1.L80 1.L9 C Shift Assignments>> C :: 175.792 CA :: 56.257 CB :: 29.689 CG :: 34.208 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 :: 8.505 HA :: 4.313 HB2 :: 2.046 HB3 :: 1.911 HG2 :: 2.282 HG3 :: 2.282 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 :: 121.638 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.I2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.68 C 0.31 C Shift Assignments>> C :: 175.65 CA :: 61.342 CB :: 39.067 CG1 :: 27.487 CG2 :: 18.004 CD1 :: 13.336 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 :: 8.119 HA :: 4.147 HB :: 1.795 HG12 :: 1.384 HG13 :: 1.111 HG21 :: 0.857 HG22 :: 0.857 HG23 :: 0.857 HD11 :: 0.79 HD12 :: 0.79 HD13 :: 0.79 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 :: 120.668 Ave N Shift Values>> N :: 121.46(4.28) 1.N3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.38 D 0.24 F 0.09 Y 0.09 L 0.08 C 0.08 C Shift Assignments>> C :: 174.775 CA :: 53.73 CB :: 39.406 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 :: 8.446 HA :: 4.704 HB2 :: 2.781 HB3 :: 2.726 HD21 :: 7.523 HD22 :: 6.866 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 :: 122.032 ND2 :: 112.02 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.Q4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.37 C 0.33 E 0.17 Q 0.1 C Shift Assignments>> C :: 175.291 CA :: 55.702 CB :: 32.258 CG :: 35.045 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.215 HA :: 4.587 HB2 :: 1.878 HB3 :: 1.835 HG2 :: 2.235 HG3 :: 2.002 HE21 :: 7.25 HE22 :: 6.619 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 :: 118.655 NE2 :: 110.702 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.V5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.83 V 0.14 A 0.01 C Shift Assignments>> C :: 173.9 CA :: 59.116 CB :: 36.104 CG1 :: 22.582 CG2 :: 19.471 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 :: 9.417 HA :: 4.867 HB :: 1.824 HG11 :: 0.765 HG12 :: 0.765 HG13 :: 0.765 HG21 :: 0.706 HG22 :: 0.706 HG23 :: 0.706 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 :: 113.749 Ave N Shift Values>> N :: 121.14(4.54) 1.R6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.42 C 0.33 R 0.2 K 0.03 C Shift Assignments>> C :: 175.09 CA :: 52.571 CB :: 33.674 CG :: 27.835 CD :: 43.906 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 :: 8.901 HA :: 5.457 HB2 :: 1.857 HB3 :: 1.571 HG2 :: 1.669 HG3 :: 1.437 HD2 :: 3.106 HD3 :: 3.106 HE :: 7.194 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 :: 121.515 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.P7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.59 P 0.4 C Shift Assignments>> CA :: 62.052 CB :: 32.261 CG :: 28.392 CD :: 51.814 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 :: 4.995 HB2 :: 1.685 HB3 :: 1.685 HG2 :: 1.805 HG3 :: 1.386 HD2 :: 4.126 HD3 :: 4.006 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.K8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 R 0.45 K 0.05 G 0.01 C Shift Assignments>> C :: 177.557 CA :: 57.722 CB :: 33.995 CG :: 27.695 CD :: 30.177 CE :: 42.598 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 :: 8.476 HA :: 4.201 HB2 :: 2.009 HB3 :: 1.868 HG2 :: 1.427 HG3 :: 1.315 HD2 :: 1.73 HD3 :: 1.73 HE2 :: 2.739 HE3 :: 2.739 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 :: 121.291 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.76 L 0.19 K 0.04 HN Overlap>> 1.Q1 1.Q1 C Shift Assignments>> C :: 174.261 CA :: 60.196 CB :: 39.85 CG :: 27.405 CD1 :: 24.448 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.584 HA :: 4.055 HB2 :: 1.705 HB3 :: 1.663 HG :: 1.598 HD11 :: 0.89 HD12 :: 0.89 HD13 :: 0.89 HD21 :: 0.89 HD22 :: 0.89 HD23 :: 0.89 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 :: 121.578 Ave N Shift Values>> N :: 121.86(3.9) 1.P10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.73 C 0.26 C Shift Assignments>> CA :: 66.578 CB :: 31.477 CG :: 28.876 CD :: 50.007 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 :: 4.133 HB2 :: 2.246 HB3 :: 1.617 HG2 :: 1.96 HG3 :: 1.904 HD2 :: 3.714 HD3 :: 3.436 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.L11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 L 0.34 R 0.19 K 0.02 A 0.01 C Shift Assignments>> C :: 177.726 CA :: 56.14 CB :: 41.847 CG :: 27.681 CD1 :: 27.644 CD2 :: 23.118 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 6.605 HA :: 3.975 HB2 :: 1.809 HB3 :: 1.084 HG :: 1.226 HD11 :: 0.683 HD12 :: 0.683 HD13 :: 0.683 HD21 :: 0.657 HD22 :: 0.657 HD23 :: 0.657 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 :: 113.19 Ave N Shift Values>> N :: 121.86(3.9) 1.L12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.52 C 0.42 R 0.04 HN Overlap>> 1.L80 1.L80 C Shift Assignments>> C :: 177.321 CA :: 58.237 CB :: 41.911 CG :: 26.712 CD1 :: 24.274 CD2 :: 25.64 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 :: 8.399 HA :: 3.382 HB2 :: 1.689 HB3 :: 1.176 HG :: 1.601 HD11 :: 0.871 HD12 :: 0.871 HD13 :: 0.871 HD21 :: 0.827 HD22 :: 0.827 HD23 :: 0.827 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 :: 121.683 Ave N Shift Values>> N :: 121.86(3.9) 1.K13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 K 0.39 R 0.11 G 0.01 C Shift Assignments>> C :: 180.207 CA :: 60.071 CB :: 32.469 CG :: 25.227 CD :: 29.665 CE :: 42.335 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 :: 7.94 HA :: 3.793 HB2 :: 1.761 HB3 :: 1.702 HG2 :: 1.317 HG3 :: 1.317 HD2 :: 1.55 HD3 :: 1.55 HE2 :: 2.834 HE3 :: 2.834 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 :: 114.524 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I14 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.78 C 0.21 C Shift Assignments>> C :: 176.418 CA :: 64.48 CB :: 37.604 CG1 :: 29.023 CG2 :: 15.599 CD1 :: 13.563 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 :: 6.742 HA :: 3.304 HB :: 1.676 HG12 :: 1.411 HG13 :: 0.674 HG21 :: -0.292(S) HG22 :: -0.292(S) HG23 :: -0.292(S) HD11 :: 0.348 HD12 :: 0.348 HD13 :: 0.348 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 :: 119.857 Ave N Shift Values>> N :: 121.46(4.28) 1.L15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.76 L 0.22 C Shift Assignments>> C :: 180.263 CA :: 58.28 CB :: 39.138 CG :: 26.632 CD1 :: 23.24 CD2 :: 26.595 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 :: 7.595 HA :: 3.522 HB2 :: 1.361 HB3 :: 0.57 HG :: 1.598 HD11 :: 0.413 HD12 :: 0.413 HD13 :: 0.413 HD21 :: 0.11 HD22 :: 0.11 HD23 :: 0.11 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 116.695 Ave N Shift Values>> N :: 121.86(3.9) 1.H16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.66 H 0.33 C Shift Assignments>> C :: 180.133 CA :: 57.291 CB :: 31.411 CD2 :: 114.535 CE1 :: 138.342 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 :: 8.955 HA :: 4.682 HB2 :: 3.035 HB3 :: 3.035 HD2 :: 6.371 HE1 :: 7.757 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 :: 117.829 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.A17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.53 A 0.4 I 0.03 C 0.02 C Shift Assignments>> C :: 178.835 CA :: 55.085 CB :: 18.111 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.945 HA :: 4.246 HB1 :: 1.734 HB2 :: 1.734 HB3 :: 1.734 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.006 Ave N Shift Values>> N :: 123.23(3.54) 1.A18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.82 L 0.1 C 0.05 M 0.01 HN Overlap>> 1.T89 1.T89 C Shift Assignments>> C :: 176.261 CA :: 52.136 CB :: 21.112 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.665 HA :: 4.421 HB1 :: 1.757 HB2 :: 1.757 HB3 :: 1.757 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 118.201 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 0.73 L 0.14 R 0.03 C 0.03 F 0.01 D 0.01 C Shift Assignments>> C :: 174.412 CA :: 44.967 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.683 HA2 :: 4.455 HA3 :: 3.633 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 103.92 Ave N Shift Values>> N :: 109.67(3.87) 1.A20 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> A 0.87 M 0.09 C 0.02 C Shift Assignments>> C :: 175.772 CA :: 52.68 CB :: 19.356 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.578 HA :: 3.635 HB1 :: 0.168(S) HB2 :: 0.168(S) HB3 :: 0.168(S) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.582 Ave N Shift Values>> N :: 123.23(3.54) 1.Q21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.49 C 0.31 Q 0.15 E 0.04 C Shift Assignments>> C :: 175.528 CA :: 54.651 CB :: 32.414 CG :: 33.924 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 :: 8.481 HA :: 4.349 HB2 :: 1.937 HB3 :: 1.799 HG2 :: 2.235 HG3 :: 2.169 HE21 :: 7.368 HE22 :: 6.686 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 116.996 NE2 :: 111.855 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.G22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.61 L 0.2 R 0.07 C 0.04 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> C :: 173.892 CA :: 44.698 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.51 HA2 :: 4.134 HA3 :: 3.747 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.128 Ave N Shift Values>> N :: 109.67(3.87) 1.E23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.58 E 0.21 M 0.19 C Shift Assignments>> C :: 174.007 CA :: 56.829 CB :: 33.051 CG :: 36.742 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 :: 8.245 HA :: 4.608 HB2 :: 2.08 HB3 :: 1.804 HG2 :: 2.161 HG3 :: 2.095 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 :: 114.113 Ave N Shift Values>> N :: 120.67(3.48) 1.M24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.41 A 0.29 C 0.29 C Shift Assignments>> C :: 174.637 CA :: 54.264 CB :: 35.854 CG :: 32.085 CE :: 17.055 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 :: 6.872 HA :: 5.051 HB2 :: 1.661 HB3 :: 1.661 HG2 :: 2.319 HG3 :: 2.221 HE1 :: 1.873 HE2 :: 1.873 HE3 :: 1.873 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 115.322 Ave N Shift Values>> N :: 120.09(3.57) 1.F25 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.77 C 0.17 F 0.05 C Shift Assignments>> C :: 175.742 CA :: 57.338 CB :: 46.912(S) CD1 :: 133.182 CD2 :: 133.182 CE1 :: 131.321 CE2 :: 131.321 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 :: 8.623 HA :: 5.094 HB2 :: 3.638 HB3 :: 2.082 HD1 :: 6.843 HD2 :: 6.843 HE1 :: 6.93 HE2 :: 6.93 HZ :: 6.596 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 :: 119.008 Ave N Shift Values>> N :: 120.45(4.18) 1.T26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.78 C 0.21 C Shift Assignments>> C :: 176.666 CA :: 61.095 CB :: 71.136 CG2 :: 22.488 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 9.108 HA :: 4.99 HB :: 4.74 HG21 :: 1.287 HG22 :: 1.287 HG23 :: 1.287 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 :: 110.544 Ave N Shift Values>> N :: 115.42(4.75) 1.V27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.9 C 0.09 C Shift Assignments>> C :: 177.726 CA :: 68.241 CB :: 31.555 CG1 :: 23.82 CG2 :: 21.899 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 :: 9.044 HA :: 3.381 HB :: 1.999 HG11 :: 0.944 HG12 :: 0.944 HG13 :: 0.944 HG21 :: 0.837 HG22 :: 0.837 HG23 :: 0.837 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 :: 121.588 Ave N Shift Values>> N :: 121.14(4.54) 1.K28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 K 0.37 R 0.12 G 0.01 C Shift Assignments>> C :: 180.06 CA :: 60.356 CB :: 32.839 CG :: 25.5 CD :: 29.73 CE :: 42.234 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 :: 8.132 HA :: 3.959 HB2 :: 1.837 HB3 :: 1.746 HG2 :: 1.516 HG3 :: 1.37 HD2 :: 1.667 HD3 :: 1.57 HE2 :: 2.958 HE3 :: 2.855 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 :: 118.341 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E29 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.72 E 0.12 I 0.11 M 0.03 C Shift Assignments>> C :: 178.583 CA :: 59.903 CB :: 31.456 CG :: 38.162 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 :: 7.877 HA :: 4.046 HB2 :: 2.864(S) HB3 :: 2.217 HG2 :: 2.496 HG3 :: 2.351 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.521 Ave N Shift Values>> N :: 120.67(3.48) 1.V30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.93 C 0.06 C Shift Assignments>> C :: 177.546 CA :: 67.901 CB :: 31.377 CG1 :: 23.027 CG2 :: 22.177 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 :: 8.245 HA :: 3.25 HB :: 2.367 HG11 :: 0.799 HG12 :: 0.799 HG13 :: 0.799 HG21 :: 0.763 HG22 :: 0.763 HG23 :: 0.763 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 :: 119.044 Ave N Shift Values>> N :: 121.14(4.54) 1.M31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 M 0.45 A 0.01 C Shift Assignments>> C :: 178.699 CA :: 57.748 CB :: 32.68 CG :: 30.944 CE :: 17.028 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.188 HA :: 4.198 HB2 :: 2.698 HB3 :: 2.616 HG2 :: 2.227 HG3 :: 1.904 HE1 :: 1.715 HE2 :: 1.715 HE3 :: 1.715 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 :: 114.669 Ave N Shift Values>> N :: 120.09(3.57) 1.H32 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.6 H 0.39 C Shift Assignments>> C :: 178.675 CA :: 60.272 CB :: 30.597 CD2 :: 118.696 CE1 :: 138.783 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 :: 8.091 HA :: 4.117 HB2 :: 3.12 HB3 :: 2.985 HD2 :: 5.156(S) HE1 :: 7.535 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 :: 118.909 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.Y33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.72 C 0.27 C Shift Assignments>> C :: 177.794 CA :: 63.717 CB :: 39.129 CD1 :: 133.195 CD2 :: 133.195 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 :: 8.468 HA :: 3.852 HB2 :: 2.834 HB3 :: 2.656 HD1 :: 6.99 HD2 :: 6.99 HE1 :: 6.857 HE2 :: 6.857 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 :: 116.769 Ave N Shift Values>> N :: 120.52(4.2) 1.L34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.41 C 0.4 R 0.15 G 0.02 HN Overlap>> 1.T86 1.T86 C Shift Assignments>> C :: 178.484 CA :: 58.622 CB :: 42.581 CG :: 27.148 CD1 :: 26.312 CD2 :: 24.347 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.455 HA :: 3.809 HB2 :: 1.869 HB3 :: 1.437 HG :: 1.624 HD11 :: 0.695 HD12 :: 0.695 HD13 :: 0.695 HD21 :: 0.483 HD22 :: 0.483 HD23 :: 0.483 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 :: 120.819 Ave N Shift Values>> N :: 121.86(3.9) 1.G35 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.84 C 0.07 L 0.04 A 0.01 C Shift Assignments>> C :: 175.647 CA :: 47.239 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.691 HA2 :: 2.968 HA3 :: 2.439(S) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 104.896 Ave N Shift Values>> N :: 109.67(3.87) 1.Q36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.31 Q 0.26 K 0.25 E 0.07 R 0.04 M 0.02 I 0.02 C Shift Assignments>> C :: 177.429 CA :: 58.678 CB :: 28.875 CG :: 33.925 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.704 HA :: 3.812 HB2 :: 1.932 HB3 :: 1.932 HG2 :: 2.033 HG3 :: 2.033 HE21 :: 7.419 HE22 :: 6.896 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 119.08 NE2 :: 111.671 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Y37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.71 C 0.28 C Shift Assignments>> C :: 176.215 CA :: 62.565 CB :: 38.619 CD1 :: 133.001 CD2 :: 133.001 CE1 :: 117.662 CE2 :: 117.662 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 :: 8.5 HA :: 3.804 HB2 :: 3.319 HB3 :: 2.986 HD1 :: 6.76 HD2 :: 6.76 HE1 :: 6.669 HE2 :: 6.669 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 120.995 Ave N Shift Values>> N :: 120.52(4.2) 1.I38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.55 C 0.43 C Shift Assignments>> C :: 177.952 CA :: 65.547 CB :: 38.431 CG1 :: 30.643 CG2 :: 19.404 CD1 :: 15.635 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 :: 7.585 HA :: 3.303 HB :: 1.85 HG12 :: 1.885 HG13 :: 1.017 HG21 :: 0.863 HG22 :: 0.863 HG23 :: 0.863 HD11 :: 0.978 HD12 :: 0.978 HD13 :: 0.978 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 116.532 Ave N Shift Values>> N :: 121.46(4.28) 1.M39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.67 M 0.31 A 0.01 C Shift Assignments>> C :: 180.579 CA :: 57.563 CB :: 31.473 CG :: 30.296 CE :: 15.621 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 :: 7.707 HA :: 4.547 HB2 :: 2.534 HB3 :: 2.409 HG2 :: 2.112 HG3 :: 2.044 HE1 :: 1.652 HE2 :: 1.652 HE3 :: 1.652 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 115.556 Ave N Shift Values>> N :: 120.09(3.57) 1.V40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.91 C 0.08 C Shift Assignments>> C :: 178.786 CA :: 66.112 CB :: 31.991 CG1 :: 22.388 CG2 :: 21.097 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 :: 9.009 HA :: 3.828 HB :: 2.071 HG11 :: 1.026 HG12 :: 1.026 HG13 :: 1.026 HG21 :: 0.909 HG22 :: 0.909 HG23 :: 0.909 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 120.872 Ave N Shift Values>> N :: 121.14(4.54) 1.K41 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Unknown N Shifts: Consistent PRTL>> K 0.4 C 0.33 R 0.24 C Shift Assignments>> C :: 174.784 CA :: 56.083 CB :: 31.461 CG :: 25.209 CD :: 28.741 CE :: 42.278 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 :: 7.812 HA :: 4.057 HB2 :: 1.566 HB3 :: 1.299 HG2 :: 0.84 HG3 :: 0.84 HD2 :: 1.225 HD3 :: 1.116 HE2 :: 2.791 HE3 :: 2.742 HZ1 :: 6.676(U) HZ2 :: 6.676(U) HZ3 :: 6.676(U) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 116.652 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Q42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 K 0.23 Q 0.17 R 0.07 E 0.05 I 0.02 C Shift Assignments>> C :: 175.55 CA :: 56.979 CB :: 26.248 CG :: 34.705 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.642 HA :: 3.606 HB2 :: 2.039 HB3 :: 1.964 HG2 :: 2.145 HG3 :: 2.145 HE21 :: 7.451 HE22 :: 6.689 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 :: 115.445 NE2 :: 111.288 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 L 0.23 R 0.2 A 0.18 G 0.01 C Shift Assignments>> C :: 175.979 CA :: 54.654 CB :: 41.95 CG :: 27.552 CD1 :: 21.959 CD2 :: 26.872 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 :: 8.097 HA :: 4.457 HB2 :: 1.824 HB3 :: 1.465 HG :: 1.55 HD11 :: 0.755 HD12 :: 0.755 HD13 :: 0.755 HD21 :: 0.766 HD22 :: 0.766 HD23 :: 0.766 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 :: 115.724 Ave N Shift Values>> N :: 121.86(3.9) 1.Y44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.74 C 0.25 C Shift Assignments>> C :: 173.941 CA :: 54.629 CB :: 39.748 CD1 :: 133.378 CD2 :: 133.378 CE1 :: 118.337 CE2 :: 118.337 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 :: 6.856 HA :: 5.292 HB2 :: 3.114 HB3 :: 2.447 HD1 :: 6.827 HD2 :: 6.827 HE1 :: 6.83 HE2 :: 6.83 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 :: 112.953 Ave N Shift Values>> N :: 120.52(4.2) 1.D45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.35 R 0.25 D 0.14 G 0.1 C 0.04 F 0.03 K 0.03 Y 0.02 C Shift Assignments>> C :: 176.779 CA :: 53.98 CB :: 43.532 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 :: 8.324 HA :: 4.438 HB2 :: 3.26 HB3 :: 2.381 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 :: 122.196 Ave N Shift Values>> N :: 120.65(3.86) 1.Q46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 Q 0.23 K 0.23 E 0.11 I 0.03 R 0.02 M 0.01 C Shift Assignments>> C :: 177.122 CA :: 59.031 CB :: 29.087 CG :: 34.253 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 :: 8.563 HA :: 3.886 HB2 :: 2.07 HB3 :: 1.965 HG2 :: 2.338 HG3 :: 2.338 HE21 :: 7.445 HE22 :: 6.569 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 :: 123.042 NE2 :: 111.609 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Q47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.26 Q 0.24 E 0.2 K 0.15 M 0.11 I 0.01 C Shift Assignments>> C :: 176.272 CA :: 57.129 CB :: 30.124 CG :: 34.66 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 :: 8.356 HA :: 4.357 HB2 :: 2.123 HB3 :: 2.027 HG2 :: 2.329 HG3 :: 2.299 HE21 :: 7.597 HE22 :: 6.778 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 :: 115.263 NE2 :: 111.958 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.E48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.44 C 0.34 K 0.08 M 0.05 Q 0.05 I 0.02 C Shift Assignments>> C :: 175.953 CA :: 54.957 CB :: 29.56 CG :: 36.522 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 :: 8.227 HA :: 4.519 HB2 :: 1.724 HB3 :: 1.724 HG2 :: 2.131 HG3 :: 1.99 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 :: 122.549 Ave N Shift Values>> N :: 120.67(3.48) 1.Q49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 Q 0.17 K 0.15 E 0.11 I 0.1 R 0.04 C Shift Assignments>> C :: 174.842 CA :: 59.697 CB :: 27.93 CG :: 34.647 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 :: 8.253 HA :: 4.552 HB2 :: 2.237 HB3 :: 2.005 HG2 :: 2.627 HG3 :: 2.478 HE21 :: 7.425 HE22 :: 6.703 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 :: 118.815 NE2 :: 109.203 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.H50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.52 C 0.47 C Shift Assignments>> C :: 173.749 CA :: 56.259 CB :: 31.072 CD2 :: 118.131 CE1 :: 139.167 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 :: 7.412 HA :: 4.173 HB2 :: 2.952 HB3 :: 2.846 HD2 :: 7.043 HE1 :: 7.737 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 :: 111.141 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.M51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.52 C 0.36 A 0.11 HN Overlap>> 1.D57 1.D57 C Shift Assignments>> C :: 174.311 CA :: 53.186 CB :: 31.731 CG :: 31.603 CE :: 15.037 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 :: 7.766 HA :: 4.584 HB2 :: 1.876 HB3 :: 1.876 HG2 :: 1.562 HG3 :: 1.562 HE1 :: 1.683 HE2 :: 1.683 HE3 :: 1.683 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 119.35 Ave N Shift Values>> N :: 120.09(3.57) 1.V52 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> V 0.61 C 0.38 C Shift Assignments>> C :: 174.756 CA :: 61.622 CB :: 32.814 CG1 :: 21.844 CG2 :: 21.953 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 :: 8.456 HA :: 3.948 HB :: 0.898(S) HG11 :: 0.565 HG12 :: 0.565 HG13 :: 0.565 HG21 :: 0.45 HG22 :: 0.45 HG23 :: 0.45 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 122.542 Ave N Shift Values>> N :: 121.14(4.54) 1.Y53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.63 C 0.36 C Shift Assignments>> C :: 174.923 CA :: 57.812 CB :: 38.849 CD1 :: 132.919 CD2 :: 132.919 CE1 :: 118.053 CE2 :: 118.053 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 :: 8.213 HA :: 4.759 HB2 :: 3.068 HB3 :: 2.668 HD1 :: 6.993 HD2 :: 6.993 HE1 :: 6.733 HE2 :: 6.733 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 :: 125.68 Ave N Shift Values>> N :: 120.52(4.2) 1.C54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.17 Q 0.17 E 0.15 R 0.15 K 0.13 C 0.13 M 0.06 I 0.01 C Shift Assignments>> C :: 174.231 CA :: 56.103 CB :: 29.697 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.307 HA :: 4.739 HB2 :: 3.246 HB3 :: 2.24 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 116.702 Ave N Shift Values>> N :: 120.17(4.64) 1.G55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.85 C 0.07 L 0.04 A 0.01 C Shift Assignments>> C :: 174.662 CA :: 47.149 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.484 HA2 :: 3.943 HA3 :: 3.862 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.569 Ave N Shift Values>> N :: 109.67(3.87) 1.G56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 L 0.07 C 0.03 C Shift Assignments>> C :: 172.811 CA :: 45.76 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.889 HA2 :: 4.017 HA3 :: 3.838 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 113.022 Ave N Shift Values>> N :: 109.67(3.87) 1.D57 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.83 L 0.08 C 0.07 HN Overlap>> 1.M51 1.M51 C Shift Assignments>> C :: 176.302 CA :: 53.093 CB :: 47.264(S) 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 :: 7.789 HA :: 4.888 HB2 :: 2.574 HB3 :: 2.432 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 119.431 Ave N Shift Values>> N :: 120.65(3.86) 1.L58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 L 0.31 K 0.28 R 0.02 G 0.01 C Shift Assignments>> C :: 179.059 CA :: 58.803 CB :: 42.403 CG :: 27.468 CD1 :: 24.578 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 :: 8.549 HA :: 4.064 HB2 :: 1.593 HB3 :: 1.458 HG :: 1.574 HD11 :: 0.852 HD12 :: 0.852 HD13 :: 0.852 HD21 :: 0.852 HD22 :: 0.852 HD23 :: 0.852 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 128.421 Ave N Shift Values>> N :: 121.86(3.9) 1.L59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 L 0.39 R 0.14 G 0.02 C Shift Assignments>> C :: 178.542 CA :: 58.771 CB :: 42.649 CG :: 26.832 CD1 :: 26.49 CD2 :: 23.061 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 :: 9.973 HA :: 3.867 HB2 :: 1.754 HB3 :: 1.473 HG :: 1.612 HD11 :: 0.864 HD12 :: 0.864 HD13 :: 0.864 HD21 :: 0.682 HD22 :: 0.682 HD23 :: 0.682 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 118.633 Ave N Shift Values>> N :: 121.86(3.9) 1.G60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.45 P 0.24 A 0.11 C 0.1 N 0.03 L 0.02 D 0.01 C Shift Assignments>> C :: 176.907 CA :: 48.063 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.559 HA2 :: 4.001 HA3 :: 3.959 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.564 Ave N Shift Values>> N :: 109.67(3.87) 1.E61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 E 0.35 I 0.16 K 0.06 Q 0.02 M 0.01 C Shift Assignments>> C :: 179.215 CA :: 59.161 CB :: 29.493 CG :: 36.458 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 :: 7.536 HA :: 3.982 HB2 :: 2.076 HB3 :: 2.076 HG2 :: 2.221 HG3 :: 2.088 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 :: 121.706 Ave N Shift Values>> N :: 120.67(3.48) 1.L62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.51 C 0.38 R 0.07 G 0.01 C Shift Assignments>> C :: 178.842 CA :: 57.475 CB :: 42.487 CG :: 27.448 CD1 :: 24.588 CD2 :: 25.103 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 :: 7.701 HA :: 4.024 HB2 :: 1.605 HB3 :: 1.447 HG :: 1.505 HD11 :: 0.641 HD12 :: 0.641 HD13 :: 0.641 HD21 :: 0.631 HD22 :: 0.631 HD23 :: 0.631 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 118.455 Ave N Shift Values>> N :: 121.86(3.9) 1.L63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.33 C 0.31 R 0.19 G 0.14 C Shift Assignments>> C :: 177.773 CA :: 56.375 CB :: 43.893 CG :: 27.261 CD1 :: 27.007 CD2 :: 25.06 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 :: 8.117 HA :: 3.776 HB2 :: 1.727 HB3 :: 1.218 HG :: 1.541 HD11 :: 0.454 HD12 :: 0.454 HD13 :: 0.454 HD21 :: 0.374 HD22 :: 0.374 HD23 :: 0.374 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 :: 115.271 Ave N Shift Values>> N :: 121.86(3.9) 1.G64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.06 C 0.04 C Shift Assignments>> C :: 174.09 CA :: 46.315 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.983 HA2 :: 3.904 HA3 :: 3.756 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.216 Ave N Shift Values>> N :: 109.67(3.87) 1.R65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 G 0.24 R 0.21 K 0.05 C Shift Assignments>> C :: 174.72 CA :: 54.279 CB :: 34.395 CG :: 26.52 CD :: 43.728 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.411 HA :: 4.654 HB2 :: 2.047 HB3 :: 1.474 HG2 :: 1.471 HG3 :: 1.339 HD2 :: 3.176 HD3 :: 3.176 HE :: 6.775 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 :: 113.296 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.Q66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.26 Q 0.24 E 0.19 K 0.19 M 0.07 I 0.01 C Shift Assignments>> C :: 175.946 CA :: 57.412 CB :: 29.79 CG :: 34.602 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 :: 8.653 HA :: 4.053 HB2 :: 2.209 HB3 :: 2.038 HG2 :: 2.379 HG3 :: 2.379 HE21 :: 7.461 HE22 :: 7.131 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 :: 115.575 NE2 :: 113.222 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.S67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.86 T 0.13 C Shift Assignments>> C :: 173.062 CA :: 57.011 CB :: 66.56 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.625 HA :: 5.428 HB2 :: 3.817 HB3 :: 3.395 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 110.451 Ave N Shift Values>> N :: 116.28(3.52) 1.F68 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 :: 170.337 CA :: 57.198 CB :: 40.412 CD1 :: 132.331 CD2 :: 132.331 CE1 :: 130.193 CE2 :: 130.193 CZ :: 128.525 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 :: 8.549 HA :: 4.685 HB2 :: 3.235 HB3 :: 2.898 HD1 :: 6.791 HD2 :: 6.791 HE1 :: 6.848 HE2 :: 6.848 HZ :: 7.086 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 115.159 Ave N Shift Values>> N :: 120.45(4.18) 1.S69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 178.1 CA :: 54.748 CB :: 65.325 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.01 HA :: 5.35 HB2 :: 4.023 HB3 :: 3.536 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 :: 113.637 Ave N Shift Values>> N :: 116.28(3.52) 1.V70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.52 C 0.47 C Shift Assignments>> C :: 175.704 CA :: 64 CB :: 30.8 CG1 :: 22.81 CG2 :: 18.555 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 :: 8.948 HA :: 3.908 HB :: 2.068 HG11 :: 0.804 HG12 :: 0.804 HG13 :: 0.804 HG21 :: 0.241 HG22 :: 0.241 HG23 :: 0.241 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 120.56 Ave N Shift Values>> N :: 121.14(4.54) 1.K71 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.43 K 0.42 R 0.13 C Shift Assignments>> C :: 177.088 CA :: 57.699 CB :: 32.258 CG :: 25.927 CD :: 29.08 CE :: 41.712 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 :: 3.947 HB2 :: 1.731 HB3 :: 1.395 HG2 :: 1.061 HG3 :: 0.941 HD2 :: 1.245 HD3 :: 1.115 HE2 :: 2.25(S) HE3 :: 2.25(S) HZ1 :: 7.097(U) HZ2 :: 7.097(U) HZ3 :: 7.097(U) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 116.481 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.38 N 0.2 L 0.19 K 0.05 C 0.05 F 0.04 Y 0.02 R 0.01 C Shift Assignments>> C :: 173.021 CA :: 51.589 CB :: 41.445 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 :: 7.399 HA :: 4.942 HB2 :: 2.795 HB3 :: 2.464 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 :: 114.885 Ave N Shift Values>> N :: 120.65(3.86) 1.P73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.77 C 0.22 C Shift Assignments>> CA :: 63.647 CB :: 32.76 CG :: 26.907 CD :: 49.942 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 :: 4.418 HB2 :: 1.921 HB3 :: 1.921 HG2 :: 1.941 HG3 :: 1.826 HD2 :: 3.681 HD3 :: 3.332 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.S74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.6 T 0.39 C Shift Assignments>> C :: 173.615 CA :: 64.525 CB :: 61.994 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.052 HA :: 4.219 HB2 :: 3.977 HB3 :: 3.977 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 118.79 Ave N Shift Values>> N :: 116.28(3.52) 1.P75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.77 C 0.22 C Shift Assignments>> CA :: 66.016 CB :: 31.612 CG :: 28.49 CD :: 50.924 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 :: 4.347 HB2 :: 2.179 HB3 :: 1.182 HG2 :: 1.955 HG3 :: 1.778 HD2 :: 3.733 HD3 :: 3.733 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.L76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.56 C 0.39 R 0.02 C Shift Assignments>> C :: 178.196 CA :: 57.284 CB :: 41.409 CG :: 27.314 CD1 :: 25.47 CD2 :: 24.056 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 :: 7.076 HA :: 3.596 HB2 :: 1.51 HB3 :: 0.813 HG :: 1.156 HD11 :: 0.497 HD12 :: 0.497 HD13 :: 0.497 HD21 :: 0.508 HD22 :: 0.508 HD23 :: 0.508 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 117.938 Ave N Shift Values>> N :: 121.86(3.9) 1.Y77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.52 C 0.47 C Shift Assignments>> C :: 178.767 CA :: 61.223 CB :: 37.038 CD1 :: 131.769 CD2 :: 131.769 CE1 :: 118.2 CE2 :: 118.2 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 7.547 HA :: 4.15 HB2 :: 3.069 HB3 :: 2.849 HD1 :: 6.942 HD2 :: 6.942 HE1 :: 6.721 HE2 :: 6.721 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 117.957 Ave N Shift Values>> N :: 120.52(4.2) 1.D78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.24 Y 0.19 K 0.17 L 0.13 C 0.09 D 0.08 I 0.04 R 0.01 C Shift Assignments>> C :: 177.737 CA :: 57.875 CB :: 41.141 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 :: 8.292 HA :: 4.326 HB2 :: 2.597 HB3 :: 2.519 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 119.536 Ave N Shift Values>> N :: 120.65(3.86) 1.M79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.64 M 0.35 C Shift Assignments>> C :: 180.006 CA :: 59.71 CB :: 31.642 CG :: 31.287 CE :: 17.353 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 :: 7.226 HA :: 3.964 HB2 :: 2.09 HB3 :: 2.09 HG2 :: 2.248 HG3 :: 2.248 HE1 :: 1.654 HE2 :: 1.654 HE3 :: 1.654 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 118.757 Ave N Shift Values>> N :: 120.09(3.57) 1.L80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.53 C 0.44 HN Overlap>> 1.L12 1.Q1 1.L12 1.Q1 C Shift Assignments>> C :: 178.566 CA :: 58.927 CB :: 41.485 CG :: 26.808 CD1 :: 24.753 CD2 :: 23.684 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 :: 8.472 HA :: 3.696 HB2 :: 1.895 HB3 :: 1.351 HG :: 1.702 HD11 :: 0.629 HD12 :: 0.629 HD13 :: 0.629 HD21 :: 0.631 HD22 :: 0.631 HD23 :: 0.631 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 :: 121.624 Ave N Shift Values>> N :: 121.86(3.9) 1.R81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 R 0.34 G 0.12 K 0.03 C Shift Assignments>> C :: 178.818 CA :: 59.503 CB :: 30.295 CG :: 28.272 CD :: 43.719 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.932 HA :: 3.97 HB2 :: 1.892 HB3 :: 1.892 HG2 :: 1.728 HG3 :: 1.567 HD2 :: 3.148 HD3 :: 3.148 HE :: 7.208 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 117.111 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.K82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 R 0.29 K 0.28 G 0.01 C Shift Assignments>> C :: 177.556 CA :: 57.96 CB :: 34.227 CG :: 25.817 CD :: 30.033 CE :: 42.565 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 :: 7.157 HA :: 4.222 HB2 :: 1.874 HB3 :: 1.719 HG2 :: 1.523 HG3 :: 1.389 HD2 :: 1.733 HD3 :: 1.733 HE2 :: 2.865 HE3 :: 2.771 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 :: 114.172 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.N83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.3 R 0.19 D 0.18 K 0.13 F 0.06 C 0.04 Y 0.04 N 0.01 G 0.01 C Shift Assignments>> C :: 172.822 CA :: 54.843 CB :: 42.645 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 :: 7.665 HA :: 4.731 HB2 :: 2.737 HB3 :: 2.381 HD21 :: 7.523 HD22 :: 6.846 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 114.145 ND2 :: 112.177 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.55 C 0.21 G 0.14 R 0.06 A 0.02 C Shift Assignments>> C :: 175.658 CA :: 54.158 CB :: 43.565 CG :: 25.767 CD1 :: 26.457 CD2 :: 23.743 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 :: 7.439 HA :: 4.671 HB2 :: 1.905 HB3 :: 0.958 HG :: 1.844 HD11 :: 0.805 HD12 :: 0.805 HD13 :: 0.805 HD21 :: 0.68 HD22 :: 0.68 HD23 :: 0.68 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 118.6 Ave N Shift Values>> N :: 121.86(3.9) 1.V85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.66 C 0.33 C Shift Assignments>> C :: 176.054 CA :: 62.216 CB :: 33.58 CG1 :: 21.476 CG2 :: 21.247 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 :: 8.182 HA :: 4.208 HB :: 2.127 HG11 :: 0.895 HG12 :: 0.895 HG13 :: 0.895 HG21 :: 0.869 HG22 :: 0.869 HG23 :: 0.869 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 122.739 Ave N Shift Values>> N :: 121.14(4.54) 1.T86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.91 C 0.08 HN Overlap>> 1.L34 1.L34 C Shift Assignments>> C :: 174.216 CA :: 62.726 CB :: 70.08 CG2 :: 22.015 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 :: 8.524 HA :: 4.336 HB :: 4.113 HG21 :: 1.155 HG22 :: 1.155 HG23 :: 1.155 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 :: 120.854 Ave N Shift Values>> N :: 115.42(4.75) 1.L87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.62 C 0.25 R 0.08 G 0.02 A 0.01 C Shift Assignments>> C :: 176.523 CA :: 55.047 CB :: 42.59 CG :: 26.957 CD1 :: 25.617 CD2 :: 23.803 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 :: 8.313 HA :: 4.352 HB2 :: 1.541 HB3 :: 1.541 HG :: 1.577 HD11 :: 0.801 HD12 :: 0.801 HD13 :: 0.801 HD21 :: 0.775 HD22 :: 0.775 HD23 :: 0.775 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 :: 125.529 Ave N Shift Values>> N :: 121.86(3.9) 1.A88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.88 M 0.07 C 0.02 L 0.01 C Shift Assignments>> C :: 176.847 CA :: 52.628 CB :: 19.706 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.257 HA :: 4.366 HB1 :: 1.324 HB2 :: 1.324 HB3 :: 1.324 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.099 Ave N Shift Values>> N :: 123.23(3.54) 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.A18 1.A18 C Shift Assignments>> C :: 179.289 CA :: 63.226 CB :: 71.025 CG2 :: 22.288 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 :: 7.684 HA :: 4.057 HB :: 4.165 HG21 :: 1.077 HG22 :: 1.077 HG23 :: 1.077 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 :: 118.258 Ave N Shift Values>> N :: 115.42(4.75) 2.CM71 Overall Status: Residue type CM7 not supported. ########################################################################### Overall Results: #Consistent: 79 #Clerical: 1 #Suspicious: 9 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 89 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 89 #Suspicious: 0 C Shift Results: #Consistent: 411 #Duplicate: 0 #Unknown: 0 #Suspicious: 2 #Anomalous: 0 H Shift Results: #Consistent: 671 #Duplicate: 0 #Unknown: 6 #Suspicious: 12 #Anomalous: 0 N Shift Results: #Consistent: 95 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.I14 HG21 = -0.292(S), Expected = 0.77, Std = 0.2700, ChiSquare = 8.3776e-05 1.I14 HG22 = -0.292(S), Expected = 0.77, Std = 0.2700, ChiSquare = 8.3776e-05 1.I14 HG23 = -0.292(S), Expected = 0.77, Std = 0.2700, ChiSquare = 8.3776e-05 1.A20 HB1 = 0.168(S), Expected = 1.35, Std = 0.2600, ChiSquare = 5.4635e-06 1.A20 HB2 = 0.168(S), Expected = 1.35, Std = 0.2600, ChiSquare = 5.4635e-06 1.A20 HB3 = 0.168(S), Expected = 1.35, Std = 0.2600, ChiSquare = 5.4635e-06 1.F25 CB = 46.912(S), Expected = 39.99, Std = 2.0900, ChiSquare = 9.2644e-04 1.E29 HB2 = 2.864(S), Expected = 2.02, Std = 0.2100, ChiSquare = 5.8434e-05 1.H32 HD2 = 5.156(S), Expected = 7.00, Std = 0.4300, ChiSquare = 1.7999e-05 1.G35 HA3 = 2.439(S), Expected = 3.90, Std = 0.3700, ChiSquare = 7.8594e-05 1.K41 HZ1 = 6.676(U) 1.K41 HZ2 = 6.676(U) 1.K41 HZ3 = 6.676(U) 1.V52 HB = 0.898(S), Expected = 1.98, Std = 0.3200, ChiSquare = 7.2157e-04 1.D57 CB = 47.264(S), Expected = 40.88, Std = 1.6200, ChiSquare = 8.1230e-05 1.K71 HE2 = 2.25(S), Expected = 2.92, Std = 0.1900, ChiSquare = 4.2138e-04 1.K71 HE3 = 2.25(S), Expected = 2.91, Std = 0.2000, ChiSquare = 9.6685e-04 1.K71 HZ1 = 7.097(U) 1.K71 HZ2 = 7.097(U) 1.K71 HZ3 = 7.097(U)