Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.F2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.42 F 0.34 Y 0.22 C Shift Assignments>> C :: 175.325 CA :: 58.074 CB :: 39.38 CD1 :: 129.857 CD2 :: 129.857 CE1 :: 131.325 CE2 :: 131.325 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>> HA :: 4.673 HB2 :: 3.108 HB3 :: 3.108 HD1 :: 7.287 HD2 :: 7.287 HE1 :: 6.28 HE2 :: 6.28 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) 1.L3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.63 C 0.29 R 0.04 G 0.02 C Shift Assignments>> C :: 177.442 CA :: 55.523 CB :: 42.516 CG :: 26.963 CD1 :: 24.919 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 :: 8.321 HA :: 4.292 HB2 :: 1.594 HB3 :: 1.543 HG :: 1.538 HD11 :: 0.891 HD12 :: 0.891 HD13 :: 0.891 HD21 :: 0.877 HD22 :: 0.877 HD23 :: 0.877 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 :: 125.082 Ave N Shift Values>> N :: 121.86(3.9) 1.E4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 E 0.38 I 0.13 K 0.04 M 0.02 Q 0.01 C Shift Assignments>> C :: 177.158 CA :: 58.307 CB :: 29.676 CG :: 36.955 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 :: 8.521 HA :: 4.069 HB2 :: 2.058 HB3 :: 2.058 HG2 :: 2.283 HG3 :: 2.283 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 :: 122.906 Ave N Shift Values>> N :: 120.67(3.48) 1.R5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.45 C 0.43 K 0.05 G 0.04 HN Overlap>> 1.L29 1.L29 C Shift Assignments>> C :: 177.768 CA :: 58.082 CB :: 30.192 CG :: 27.247 CD :: 43.178 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 :: 8.327 HA :: 4.131 HB2 :: 1.848 HB3 :: 1.848 HG2 :: 1.66 HG3 :: 1.66 HD2 :: 3.187 HD3 :: 3.187 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 120.27 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.N6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.3 C 0.16 Y 0.15 F 0.13 D 0.09 E 0.05 L 0.03 M 0.02 I 0.01 C Shift Assignments>> C :: 176.83 CA :: 54.901 CB :: 38.115 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 :: 8.257 HA :: 4.554 HB2 :: 2.847 HB3 :: 2.847 HD21 :: 7.748 HD22 :: 7.024 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 118.639 ND2 :: 112.891 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.E7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 E 0.32 K 0.11 Q 0.1 I 0.06 M 0.04 C Shift Assignments>> C :: 178.102 CA :: 58.897 CB :: 29.814 CG :: 35.509 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 :: 8.185 HA :: 4.266 HB2 :: 1.952 HB3 :: 1.952 HG2 :: 2.199 HG3 :: 2.199 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 :: 123.935 Ave N Shift Values>> N :: 120.67(3.48) 1.V8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.61 C 0.38 HN Overlap>> 1.R102 1.R102 C Shift Assignments>> C :: 177.131 CA :: 67.619 CB :: 32.041 CG1 :: 24.947 CG2 :: 22.628 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.095 HA :: 3.399 HB :: 2.2 HG11 :: 1.128 HG12 :: 1.128 HG13 :: 1.128 HG21 :: 0.998 HG22 :: 0.998 HG23 :: 0.998 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 118.916 Ave N Shift Values>> N :: 121.14(4.54) 1.K9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.94 K 0.05 C Shift Assignments>> C :: 179.259 CA :: 59.806 CB :: 32.29 CG :: 25.457 CD :: 29.277 CE :: 39.467 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 :: 7.771 HA :: 3.804 HB2 :: 1.828 HB3 :: 1.828 HG2 :: 1.561 HG3 :: 1.378 HD2 :: 1.659 HD3 :: 1.659 HE2 :: 2.945 HE3 :: 2.945 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 :: 117.791 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.R10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 R 0.43 K 0.06 G 0.03 C Shift Assignments>> C :: 179.68 CA :: 59.444 CB :: 30.19 CG :: 27.265 CD :: 42.867 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 :: 7.834 HA :: 3.934 HB2 :: 1.969 HB3 :: 1.818 HG2 :: 1.468 HG3 :: 1.468 HD2 :: 3.031 HD3 :: 3.031 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 119.032 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.L11 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.91 K 0.04 G 0.02 A 0.01 C Shift Assignments>> C :: 178.937 CA :: 58.067 CB :: 42.051 CG :: 22.416(S) CD2 :: 26.355 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 :: 8.147 HA :: 3.89 HB2 :: 1.802 HB3 :: 1.114 HG :: 1.704 HD11 :: 0.691 HD12 :: 0.691 HD13 :: 0.691 HD21 :: 0.733 HD22 :: 0.733 HD23 :: 0.733 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 :: 120.881 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 0.41 R 0.04 C Shift Assignments>> C :: 177.36 CA :: 57.498 CB :: 41.506 CG :: 27.293 CD1 :: 25.869 CD2 :: 23.085 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 :: 8.331 HA :: 3.874 HB2 :: 1.838 HB3 :: 1.407 HG :: 1.903 HD11 :: 0.869 HD12 :: 0.869 HD13 :: 0.869 HD21 :: 0.679 HD22 :: 0.679 HD23 :: 0.679 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 :: 116.294 Ave N Shift Values>> N :: 121.86(3.9) 1.A13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.93 M 0.03 C 0.01 C Shift Assignments>> C :: 177.554 CA :: 51.29 CB :: 19.81 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.109 HA :: 4.48 HB1 :: 1.396 HB2 :: 1.396 HB3 :: 1.396 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 117.998 Ave N Shift Values>> N :: 123.23(3.54) 1.S14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.762 CA :: 59.344 CB :: 63.704 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.265 HA :: 4.175 HB2 :: 4.088 HB3 :: 3.91 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 114.833 Ave N Shift Values>> N :: 116.28(3.52) 1.R15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.55 C 0.32 G 0.06 K 0.04 C Shift Assignments>> C :: 175.442 CA :: 54.847 CB :: 30.415 CG :: 26.994 CD :: 43.225 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 :: 8.872 HA :: 4.555 HB2 :: 2.115 HB3 :: 1.635 HG2 :: 1.685 HG3 :: 1.614 HD2 :: 3.218 HD3 :: 3.218 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 :: 125.37 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.N16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.62 D 0.11 C 0.1 Y 0.05 F 0.04 L 0.02 M 0.01 C Shift Assignments>> C :: 175.146 CA :: 52.434 CB :: 38.294 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 :: 8.367 HA :: 4.774 HB2 :: 3.032 HB3 :: 2.736 HD21 :: 7.85 HD22 :: 6.995 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 :: 120.536 ND2 :: 114.278 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.S17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.97 CA :: 61.484 CB :: 62.85 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.656 HA :: 4.09 HB2 :: 3.961 HB3 :: 3.961 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 121.694 Ave N Shift Values>> N :: 116.28(3.52) 1.K18 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 :: 178.999 CA :: 58.606 CB :: 31.614 CG :: 24.852 CD :: 28.461 CE :: 41.966 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 :: 8.06 HA :: 4.115 HB2 :: 1.902 HB3 :: 1.867 HG2 :: 1.538 HG3 :: 1.49 HD2 :: 1.703 HD3 :: 1.703 HE2 :: 2.992 HE3 :: 2.992 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 :: 120.961 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.39 C 0.36 M 0.06 I 0.06 K 0.06 Q 0.04 C Shift Assignments>> C :: 178.136 CA :: 57.939 CB :: 30.115 CG :: 36.321 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 :: 7.52 HA :: 4.198 HB2 :: 2.043 HB3 :: 2.043 HG2 :: 2.182 HG3 :: 2.123 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.377 Ave N Shift Values>> N :: 120.67(3.48) 1.L20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.6 C 0.35 A 0.01 R 0.01 HN Overlap>> 1.Q108 1.Q108 C Shift Assignments>> C :: 179.112 CA :: 56.583 CB :: 41.611 CG :: 26.844 CD1 :: 24.964 CD2 :: 22.751 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 :: 7.741 HA :: 4.168 HB2 :: 1.793 HB3 :: 1.606 HG :: 1.802 HD11 :: 0.819 HD12 :: 0.819 HD13 :: 0.819 HD21 :: 0.894 HD22 :: 0.894 HD23 :: 0.894 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 :: 118.101 Ave N Shift Values>> N :: 121.86(3.9) 1.E21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.38 C 0.35 I 0.09 K 0.07 Q 0.04 M 0.03 HN Overlap>> 1.F27 1.F27 C Shift Assignments>> C :: 176.928 CA :: 58.216 CB :: 29.608 CG :: 36.353 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 :: 7.747 HA :: 4.342 HB2 :: 2.223 HB3 :: 2.182 HG2 :: 2.567 HG3 :: 2.477 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 116.13 Ave N Shift Values>> N :: 120.67(3.48) 1.T22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.85 C 0.14 C Shift Assignments>> C :: 172.032 CA :: 61.539 CB :: 69.426 CG2 :: 22.342 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 :: 7.446 HA :: 4.182 HB :: 4.617 HG21 :: 1.182 HG22 :: 1.182 HG23 :: 1.182 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 106.131 Ave N Shift Values>> N :: 115.42(4.75) 1.L23 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.53 C 0.41 L 0.03 A 0.01 C Shift Assignments>> C :: 175.604 CA :: 52.838 CB :: 46.851 CG :: 25.506 CD1 :: 28.169 CD2 :: 24.877 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 :: 7.538 HA :: 5.869(S) HB2 :: 1.714 HB3 :: 1.575 HG :: 2.168 HD11 :: 0.831 HD12 :: 0.831 HD13 :: 0.831 HD21 :: 0.843 HD22 :: 0.843 HD23 :: 0.843 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 :: 120.178 Ave N Shift Values>> N :: 121.86(3.9) 1.I24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.63 I 0.33 G 0.02 C Shift Assignments>> C :: 173.53 CA :: 59.368 CB :: 42.319 CG1 :: 26.496 CG2 :: 18.846 CD1 :: 14.602 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 :: 8.904 HA :: 4.717 HB :: 2.01 HG12 :: 1.357 HG13 :: 1.357 HG21 :: 1.021 HG22 :: 1.021 HG23 :: 1.021 HD11 :: 0.881 HD12 :: 0.881 HD13 :: 0.881 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 :: 113.99 Ave N Shift Values>> N :: 121.46(4.28) 1.C25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.15 M 0.14 K 0.13 R 0.13 H 0.12 W 0.11 E 0.09 Q 0.05 V 0.02 C Shift Assignments>> C :: 174.153 CA :: 57.187 CB :: 31.754 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 9.021 HA :: 5.914 HB2 :: 3.122 HB3 :: 2.711 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 :: 117.755 Ave N Shift Values>> N :: 120.17(4.64) 1.L26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.56 L 0.22 C 0.15 A 0.05 C Shift Assignments>> C :: 176.015 CA :: 53.072 CB :: 45.891 CG :: 26.836 CD1 :: 23.277 CD2 :: 25.136 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 :: 8.778 HA :: 5.363 HB2 :: 1.444 HB3 :: 1.253 HG :: 1.507 HD11 :: 0.769 HD12 :: 0.769 HD13 :: 0.769 HD21 :: 0.67 HD22 :: 0.67 HD23 :: 0.67 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.952 Ave N Shift Values>> N :: 121.86(3.9) 1.F27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.2 N 0.19 Y 0.18 F 0.14 E 0.11 D 0.05 M 0.04 I 0.03 L 0.02 HN Overlap>> 1.E21 1.E21 C Shift Assignments>> CA :: 55.594 CB :: 37.765 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 :: 7.827 HA :: 4.158 HB2 :: 2.17 HB3 :: 2.17 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 116.116 Ave N Shift Values>> N :: 120.45(4.18) 1.P28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.97 P 0.01 C Shift Assignments>> C :: 175.163 CA :: 61.657 CB :: 34.356 CG :: 24.158 CD :: 49.649 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 :: 5.322 HB2 :: 2.69 HB3 :: 2.313 HG2 :: 2.305 HG3 :: 2.22 HD2 :: 3.791 HD3 :: 3.124 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.L29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.61 L 0.18 C 0.13 A 0.03 R 0.02 HN Overlap>> 1.R5 1.R5 C Shift Assignments>> C :: 176.806 CA :: 52.817 CB :: 45.029 CG :: 27.457 CD1 :: 27.157 CD2 :: 23.438 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 :: 8.365 HA :: 4.674 HB2 :: 1.402 HB3 :: 1.372 HG :: 1.521 HD11 :: 0.619 HD12 :: 0.619 HD13 :: 0.619 HD21 :: 0.671 HD22 :: 0.671 HD23 :: 0.671 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 :: 120.206 Ave N Shift Values>> N :: 121.86(3.9) 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 :: 174.677 CA :: 57.768 CB :: 64.118 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.652 HA :: 4.475 HB2 :: 4.118 HB3 :: 3.824 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 117.22 Ave N Shift Values>> N :: 116.28(3.52) 1.D31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.25 F 0.17 Y 0.15 L 0.14 N 0.13 C 0.09 K 0.01 I 0.01 C Shift Assignments>> C :: 176.811 CA :: 55.388 CB :: 40.06 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 :: 8.587 HA :: 4.471 HB2 :: 2.861 HB3 :: 2.739 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 121.514 Ave N Shift Values>> N :: 120.65(3.86) 1.K32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.43 C 0.32 R 0.23 C Shift Assignments>> C :: 176.804 CA :: 55.545 CB :: 31.942 CG :: 24.708 CD :: 28.498 CE :: 42.123 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 :: 8.053 HA :: 4.331 HB2 :: 1.956 HB3 :: 1.616 HG2 :: 1.445 HG3 :: 1.383 HD2 :: 1.424 HD3 :: 1.424 HE2 :: 2.964 HE3 :: 2.964 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 :: 117.99 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.72 C 0.27 C Shift Assignments>> C :: 173.362 CA :: 63.294 CB :: 32.41 CG1 :: 22.716 CG2 :: 22.227 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.333 HA :: 3.922 HB :: 2.162 HG11 :: 1.105 HG12 :: 1.105 HG13 :: 1.105 HG21 :: 0.993 HG22 :: 0.993 HG23 :: 0.993 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 :: 119.57 Ave N Shift Values>> N :: 121.14(4.54) 1.S34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 55.114 CB :: 64.522 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.099 HA :: 5.104 HB2 :: 4.335 HB3 :: 3.916 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 :: 118.908 Ave N Shift Values>> N :: 116.28(3.52) 1.P35 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>> C :: 178.107 CA :: 66.275 CB :: 31.873 CG :: 28.374 CD :: 50.781 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 :: 4.038 HB2 :: 2.205 HB3 :: 2.104 HG2 :: 2.191 HG3 :: 2.191 HD2 :: 4.08 HD3 :: 3.868 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.S36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.897 CA :: 61.731 CB :: 62.211 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.172 HA :: 4.179 HB2 :: 3.891 HB3 :: 3.891 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 111.48 Ave N Shift Values>> N :: 116.28(3.52) 1.L37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.51 C 0.39 R 0.06 G 0.02 C Shift Assignments>> C :: 180.292 CA :: 57.921 CB :: 42.694 CG :: 27.372 CD1 :: 24.982 CD2 :: 24.546 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 :: 7.751 HA :: 4.311 HB2 :: 1.956 HB3 :: 1.777 HG :: 1.8 HD11 :: 0.973 HD12 :: 0.973 HD13 :: 0.973 HD21 :: 1.035 HD22 :: 1.035 HD23 :: 1.035 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 :: 123.898 Ave N Shift Values>> N :: 121.86(3.9) 1.I38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.88 C 0.11 C Shift Assignments>> C :: 176.884 CA :: 65.153 CB :: 37.446 CG1 :: 28.719 CG2 :: 17.306 CD1 :: 13.554 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 :: 7.636 HA :: 3.627 HB :: 1.947 HG12 :: 1.695 HG13 :: 0.558 HG21 :: 0.69 HG22 :: 0.69 HG23 :: 0.69 HD11 :: 0.431 HD12 :: 0.431 HD13 :: 0.431 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 :: 119.411 Ave N Shift Values>> N :: 121.46(4.28) 1.C39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.48 I 0.36 C 0.11 C Shift Assignments>> C :: 176.205 CA :: 63.564 CB :: 26.285 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.64 HA :: 3.743 HB2 :: 3.144 HB3 :: 2.93 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 :: 120.43 Ave N Shift Values>> N :: 120.17(4.64) 1.Q40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 K 0.25 Q 0.21 R 0.07 E 0.02 I 0.02 M 0.02 C Shift Assignments>> C :: 177.445 CA :: 59.496 CB :: 28.469 CG :: 33.421 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 :: 8.213 HA :: 4.099 HB2 :: 2.22 HB3 :: 2.22 HG2 :: 2.507 HG3 :: 2.385 HE21 :: 6.984 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 :: 118.263 NE2 :: 111.642 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.F41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.68 F 0.24 Y 0.07 HN Overlap>> 1.D99 1.D99 C Shift Assignments>> C :: 177.475 CA :: 60.181 CB :: 39.561 CD1 :: 129.412 CD2 :: 129.412 CE1 :: 130.424 CE2 :: 130.424 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 :: 7.806 HA :: 4.661 HB2 :: 3.595 HB3 :: 3.241 HD1 :: 7.138 HD2 :: 7.138 HE1 :: 6.501 HE2 :: 6.501 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 121.411 Ave N Shift Values>> N :: 120.45(4.18) 1.L42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 L 0.42 R 0.02 C Shift Assignments>> C :: 178.495 CA :: 57.545 CB :: 40.88 CG :: 26.592 CD1 :: 27.163 CD2 :: 22.952 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 :: 8.436 HA :: 3.508 HB2 :: 2.041 HB3 :: 1.273 HG :: 2.112 HD11 :: 0.861 HD12 :: 0.861 HD13 :: 0.861 HD21 :: 0.785 HD22 :: 0.785 HD23 :: 0.785 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.016 Ave N Shift Values>> N :: 121.86(3.9) 1.Q43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 E 0.24 Q 0.14 M 0.14 K 0.06 I 0.01 C Shift Assignments>> C :: 178.499 CA :: 58.875 CB :: 30.846 CG :: 34.928 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 :: 8.236 HA :: 4.59 HB2 :: 2.212 HB3 :: 2.147 HG2 :: 2.496 HG3 :: 2.328 HE21 :: 7.703 HE22 :: 6.715 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 :: 116.21 NE2 :: 111.346 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.E44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 E 0.38 I 0.08 M 0.05 K 0.02 Q 0.01 C Shift Assignments>> C :: 177.407 CA :: 58.756 CB :: 30.518 CG :: 36.75 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 :: 8.926 HA :: 4.116 HB2 :: 2.099 HB3 :: 2.099 HG2 :: 2.519 HG3 :: 2.309 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 117.05 Ave N Shift Values>> N :: 120.67(3.48) 1.E45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.39 C 0.33 K 0.1 Q 0.06 I 0.05 M 0.04 C Shift Assignments>> C :: 176.873 CA :: 57.018 CB :: 29.537 CG :: 36.216 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 :: 8.054 HA :: 4.354 HB2 :: 1.874 HB3 :: 1.874 HG2 :: 2.392 HG3 :: 2.306 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 :: 114.95 Ave N Shift Values>> N :: 120.67(3.48) 1.I46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.94 A 0.04 C Shift Assignments>> C :: 175.873 CA :: 58.097 CB :: 35.077 CG1 :: 27.553 CG2 :: 18.766 CD1 :: 8.065 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 :: 6.749 HA :: 3.895 HB :: 2.447 HG12 :: 0.752 HG13 :: 0.699 HG21 :: 0.923 HG22 :: 0.923 HG23 :: 0.923 HD11 :: 0.435 HD12 :: 0.435 HD13 :: 0.435 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 :: 115.649 Ave N Shift Values>> N :: 121.46(4.28) 1.H47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.36 L 0.35 C 0.14 R 0.06 Q 0.02 I 0.01 H 0.01 W 0.01 C Shift Assignments>> C :: 174.787 CA :: 56.387 CB :: 24.947 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 :: 6.652 HA :: 4.52 HB2 :: 3.556 HB3 :: 3.288 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 :: 111.685 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.I48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.62 C 0.37 C Shift Assignments>> C :: 175.031 CA :: 60.737 CB :: 38.861 CG1 :: 27.307 CG2 :: 18.313 CD1 :: 15.211 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 :: 7.963 HA :: 4.433 HB :: 1.931 HG12 :: 1.409 HG13 :: 1.151 HG21 :: 1.118 HG22 :: 1.118 HG23 :: 1.118 HD11 :: 1.077 HD12 :: 1.077 HD13 :: 1.077 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 :: 118.069 Ave N Shift Values>> N :: 121.46(4.28) 1.N49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.35 N 0.24 L 0.16 F 0.07 Y 0.06 C 0.06 K 0.03 C Shift Assignments>> C :: 176.381 CA :: 53.296 CB :: 40.57 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 :: 9.222 HA :: 4.691 HB2 :: 2.738 HB3 :: 2.738 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 :: 123.991 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.E50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 E 0.28 I 0.15 K 0.1 Q 0.07 M 0.01 C Shift Assignments>> C :: 177.988 CA :: 59.807 CB :: 29.143 CG :: 35.636 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 :: 8.971 HA :: 3.792 HB2 :: 2.057 HB3 :: 1.941 HG2 :: 2.196 HG3 :: 2.196 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 :: 125.549 Ave N Shift Values>> N :: 120.67(3.48) 1.K51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.41 C 0.4 R 0.17 C Shift Assignments>> C :: 177.283 CA :: 57.718 CB :: 31.65 CG :: 24.973 CD :: 28.781 CE :: 41.996 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 :: 8.424 HA :: 4.117 HB2 :: 1.738 HB3 :: 1.738 HG2 :: 1.402 HG3 :: 1.354 HD2 :: 1.647 HD3 :: 1.647 HE2 :: 2.939 HE3 :: 2.939 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 :: 116.019 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.23 K 0.22 D 0.16 F 0.11 R 0.08 Y 0.08 C 0.05 N 0.01 C Shift Assignments>> C :: 175.454 CA :: 56.002 CB :: 41.937 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 :: 7.908 HA :: 4.444 HB2 :: 2.621 HB3 :: 2.168 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 :: 117.576 Ave N Shift Values>> N :: 120.65(3.86) 1.I53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.64 C 0.35 C Shift Assignments>> C :: 174.966 CA :: 61.101 CB :: 39.931 CG1 :: 27.644 CG2 :: 17.644 CD1 :: 14.989 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 :: 7.48 HA :: 3.875 HB :: 1.855 HG12 :: 0.65 HG13 :: 0.65 HG21 :: 0.524 HG22 :: 0.524 HG23 :: 0.524 HD11 :: 0.822 HD12 :: 0.822 HD13 :: 0.822 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 :: 120.515 Ave N Shift Values>> N :: 121.46(4.28) 1.R54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.43 C 0.41 K 0.11 G 0.03 C Shift Assignments>> C :: 176.642 CA :: 57.55 CB :: 30.848 CG :: 27.354 CD :: 43.012 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 :: 9.063 HA :: 4.291 HB2 :: 1.614 HB3 :: 1.342 HG2 :: 1.417 HG3 :: 1.417 HD2 :: 3.118 HD3 :: 3.118 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 :: 125.353 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.K55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 K 0.37 R 0.08 C Shift Assignments>> C :: 173.004 CA :: 55.873 CB :: 36.582 CG :: 24.817 CD :: 28.739 CE :: 41.757 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 :: 7.569 HA :: 4.417 HB2 :: 1.652 HB3 :: 1.605 HG2 :: 1.302 HG3 :: 1.26 HD2 :: 1.657 HD3 :: 1.657 HE2 :: 2.868 HE3 :: 2.828 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 :: 116.212 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.61 C 0.38 C Shift Assignments>> C :: 174.163 CA :: 60.843 CB :: 40.816 CG1 :: 27.868 CG2 :: 17.145 CD1 :: 14.329 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.229 HA :: 4.731 HB :: 1.597 HG12 :: 1.485 HG13 :: 1.485 HG21 :: 0.7 HG22 :: 0.7 HG23 :: 0.7 HD11 :: 0.807 HD12 :: 0.807 HD13 :: 0.807 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 122.685 Ave N Shift Values>> N :: 121.46(4.28) 1.L57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.61 L 0.28 C 0.09 C Shift Assignments>> C :: 175.764 CA :: 52.746 CB :: 45.364 CG :: 26.486 CD1 :: 24.317 CD2 :: 24.317 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 :: 9.279 HA :: 4.775 HB2 :: 1.492 HB3 :: 1.358 HG :: 0.719 HD11 :: 0.916 HD12 :: 0.916 HD13 :: 0.916 HD21 :: 0.916 HD22 :: 0.916 HD23 :: 0.916 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 :: 126.095 Ave N Shift Values>> N :: 121.86(3.9) 1.L58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.59 C 0.29 A 0.07 R 0.03 C Shift Assignments>> C :: 176.476 CA :: 55.221 CB :: 41.496 CG :: 27.215 CD1 :: 25.639 CD2 :: 22.337 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 :: 8.925 HA :: 4.338 HB2 :: 1.807 HB3 :: 1.571 HD11 :: 0.988 HD12 :: 0.988 HD13 :: 0.988 HD21 :: 0.692 HD22 :: 0.692 HD23 :: 0.692 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.946 Ave N Shift Values>> N :: 121.86(3.9) 1.V59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.78 V 0.21 C Shift Assignments>> C :: 176.335 CA :: 59.595 CB :: 31.1 CG1 :: 24.063 CG2 :: 20.994 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 :: 8.637 HA :: 4.385 HB :: 1.974 HG11 :: 1.055 HG12 :: 1.055 HG13 :: 1.055 HG21 :: 0.865 HG22 :: 0.865 HG23 :: 0.865 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 :: 123.378 Ave N Shift Values>> N :: 121.14(4.54) 1.S60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.518 CA :: 62.261 CB :: 62.301 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.755 HA :: 3.907 HB2 :: 4.292 HB3 :: 4.292 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 :: 124.152 Ave N Shift Values>> N :: 116.28(3.52) 1.D61 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> F 0.21 Y 0.2 D 0.19 L 0.14 C 0.1 N 0.07 I 0.02 K 0.02 C Shift Assignments>> C :: 174.721 CA :: 56.162 CB :: 40.102 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 9.011 HA :: 3.964 HB2 :: 1.809(S) HB3 :: 1.809 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 :: 119.224 Ave N Shift Values>> N :: 120.65(3.86) 1.F62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 F 0.28 Y 0.26 C Shift Assignments>> C :: 173.268 CA :: 56.221 CB :: 39.789 CD1 :: 129.825 CD2 :: 129.825 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 :: 6.702 HA :: 3.983 HB2 :: 3.174 HB3 :: 2.143 HD1 :: 6.701 HD2 :: 6.701 HE1 :: 7.125 HE2 :: 7.125 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 :: 110.179 Ave N Shift Values>> N :: 120.45(4.18) 1.N63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.42 C 0.15 Y 0.11 F 0.09 D 0.08 E 0.05 M 0.03 L 0.02 C Shift Assignments>> C :: 174.36 CA :: 54.158 CB :: 37.889 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 :: 7.708 HA :: 4.665 HB2 :: 3.35 HB3 :: 3.258 HD21 :: 7.858 HD22 :: 7.096 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 :: 114.98 ND2 :: 111.4 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.G64 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.85 L 0.08 C 0.02 C Shift Assignments>> C :: 173.093 CA :: 45.413 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.722 HA2 :: 5.348(S) HA3 :: 4.061 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 102.117 Ave N Shift Values>> N :: 109.67(3.87) 1.A65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.5 A 0.3 C 0.14 K 0.04 C Shift Assignments>> C :: 174.731 CA :: 51.429 CB :: 22.924 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.785 HA :: 5.055 HB1 :: 1.084 HB2 :: 1.084 HB3 :: 1.084 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.262 Ave N Shift Values>> N :: 123.23(3.54) 1.I66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 I 0.43 HN Overlap>> 1.I97 1.I97 C Shift Assignments>> C :: 174.154 CA :: 60.57 CB :: 41.943 CG1 :: 28.755 CG2 :: 18.745 CD1 :: 14.11 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 :: 9.39 HA :: 4.711 HB :: 1.493 HG12 :: 1.2 HG13 :: 1.2 HG21 :: 0.83 HG22 :: 0.83 HG23 :: 0.83 HD11 :: 0.821 HD12 :: 0.821 HD13 :: 0.821 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 :: 121.244 Ave N Shift Values>> N :: 121.46(4.28) 1.I67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.54 C 0.45 C Shift Assignments>> C :: 174.004 CA :: 59.826 CB :: 38.965 CG1 :: 27.763 CG2 :: 19.125 CD1 :: 14.687 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 :: 9.291 HA :: 4.433 HB :: 1.573 HG12 :: 1.279 HG13 :: 1.017 HG21 :: -0.007 HG22 :: -0.007 HG23 :: -0.007 HD11 :: 0.708 HD12 :: 0.708 HD13 :: 0.708 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 :: 127.255 Ave N Shift Values>> N :: 121.46(4.28) 1.I68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.65 C 0.34 C Shift Assignments>> C :: 176.052 CA :: 61.079 CB :: 38.373 CG1 :: 27.733 CG2 :: 17.574 CD1 :: 13.21 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 :: 8.681 HA :: 4.293 HB :: 1.589 HG12 :: 1.413 HG13 :: 1.413 HG21 :: 0.954 HG22 :: 0.954 HG23 :: 0.954 HD11 :: 0.717 HD12 :: 0.717 HD13 :: 0.717 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 :: 124.623 Ave N Shift Values>> N :: 121.46(4.28) 1.F69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.55 Y 0.25 C 0.18 HN Overlap>> 1.Q88 1.Q88 C Shift Assignments>> C :: 175.355 CA :: 58.156 CB :: 41.592 CD1 :: 131.081 CD2 :: 131.081 CE1 :: 129.983 CE2 :: 129.983 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 :: 9.086 HA :: 5.13 HB2 :: 3.71 HB3 :: 3.064 HD1 :: 7.471 HD2 :: 7.471 HE1 :: 7.177 HE2 :: 7.177 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 :: 126.1 Ave N Shift Values>> N :: 120.45(4.18) 1.R70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 R 0.43 K 0.07 G 0.05 C Shift Assignments>> C :: 175.099 CA :: 58.594 CB :: 30.664 CG :: 27.546 CD :: 43.278 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 :: 8.268 HA :: 4.068 HB2 :: 1.839 HB3 :: 1.839 HG2 :: 1.628 HG3 :: 1.452 HD2 :: 3.197 HD3 :: 3.197 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 :: 115.935 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.D71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.32 L 0.31 R 0.16 D 0.09 C 0.04 F 0.02 Y 0.01 C Shift Assignments>> C :: 176.087 CA :: 53.329 CB :: 44.131 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 :: 7.673 HA :: 4.88 HB2 :: 2.89 HB3 :: 2.859 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 113.892 Ave N Shift Values>> N :: 120.65(3.86) 1.S72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.6 CA :: 60.739 CB :: 62.872 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.103 HA :: 4.31 HB2 :: 3.955 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 :: 118.59 Ave N Shift Values>> N :: 116.28(3.52) 1.K73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 K 0.42 R 0.11 C Shift Assignments>> C :: 179.386 CA :: 59.283 CB :: 31.491 CG :: 25.319 CD :: 28.981 CE :: 41.894 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 :: 8.332 HA :: 4.134 HB2 :: 1.99 HB3 :: 1.809 HG2 :: 1.533 HG3 :: 1.415 HE2 :: 2.977 HE3 :: 2.977 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 :: 125.872 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.F74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.62 F 0.32 Y 0.05 C Shift Assignments>> C :: 177.819 CA :: 61.588 CB :: 39.963 CD1 :: 129.876 CD2 :: 129.876 CE1 :: 128.967 CE2 :: 128.967 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 :: 8.482 HA :: 3.968 HB2 :: 3.172 HB3 :: 2.982 HD1 :: 6.88 HD2 :: 6.88 HE1 :: 7.22 HE2 :: 7.22 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 123.145 Ave N Shift Values>> N :: 120.45(4.18) 1.A75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.56 A 0.33 I 0.05 C 0.03 HN Overlap>> 1.Y104 1.Y104 C Shift Assignments>> C :: 178.1 CA :: 55.584 CB :: 18.265 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.835 HA :: 3.396 HB1 :: 1.518 HB2 :: 1.518 HB3 :: 1.518 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.451 Ave N Shift Values>> N :: 123.23(3.54) 1.A76 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 :: 180.569 CA :: 54.996 CB :: 18.04 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.68 HA :: 4.033 HB1 :: 1.481 HB2 :: 1.481 HB3 :: 1.481 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 117.626 Ave N Shift Values>> N :: 123.23(3.54) 1.K77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 K 0.46 R 0.05 C Shift Assignments>> C :: 178.964 CA :: 58.803 CB :: 32.106 CG :: 24.723 CD :: 29.301 CE :: 41.642 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 :: 7.302 HA :: 3.998 HB2 :: 1.71 HB3 :: 1.637 HG2 :: 1.37 HG3 :: 1.185 HD2 :: 1.519 HD3 :: 1.441 HE2 :: 2.703 HE3 :: 2.703 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 :: 118.273 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.M78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.19 K 0.17 C 0.15 R 0.12 H 0.11 Q 0.08 W 0.07 E 0.05 V 0.01 C Shift Assignments>> C :: 178.167 CA :: 55.734 CB :: 32.382 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 :: 7.785 HA :: 4.273 HB2 :: 1.763 HB3 :: 1.395 HG2 :: 1.662 HG3 :: 1.662 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 117.578 Ave N Shift Values>> N :: 120.09(3.57) 1.L79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.49 C 0.46 R 0.02 G 0.01 C Shift Assignments>> C :: 179.06 CA :: 59.377 CB :: 42.354 CG :: 26.899 CD1 :: 24.788 CD2 :: 24.788 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 :: 8.197 HA :: 3.786 HB2 :: 1.847 HB3 :: 1.799 HG :: 1.675 HD11 :: 0.932 HD12 :: 0.932 HD13 :: 0.932 HD21 :: 0.932 HD22 :: 0.932 HD23 :: 0.932 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.984 Ave N Shift Values>> N :: 121.86(3.9) 1.M80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 M 0.4 Q 0.13 K 0.02 C Shift Assignments>> C :: 178.184 CA :: 57.627 CB :: 32.543 CG :: 31.895 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 :: 7.018 HA :: 4.277 HB2 :: 2.181 HB3 :: 2.181 HG2 :: 2.707 HG3 :: 2.585 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 :: 114.071 Ave N Shift Values>> N :: 120.09(3.57) 1.I81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.8 C 0.19 C Shift Assignments>> C :: 177.491 CA :: 63.571 CB :: 38.716 CG1 :: 28.666 CG2 :: 17.61 CD1 :: 13.004 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 :: 7.615 HA :: 3.885 HB :: 1.781 HG12 :: 1.519 HG13 :: 1.218 HG21 :: 0.845 HG22 :: 0.845 HG23 :: 0.845 HD11 :: 0.751 HD12 :: 0.751 HD13 :: 0.751 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 :: 118.056 Ave N Shift Values>> N :: 121.46(4.28) 1.L82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.46 C 0.3 R 0.2 G 0.01 C Shift Assignments>> C :: 178.36 CA :: 55.929 CB :: 42.309 CG :: 27.713 CD1 :: 26.356 CD2 :: 23.7 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 :: 8.16 HA :: 4.1 HB2 :: 1.76 HB3 :: 1.287 HG :: 1.699 HD11 :: 0.843 HD12 :: 0.843 HD13 :: 0.843 HD21 :: 1.265 HD22 :: 1.265 HD23 :: 1.265 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 :: 116.858 Ave N Shift Values>> N :: 121.86(3.9) 1.N83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.21 F 0.18 N 0.17 C 0.17 D 0.1 L 0.04 E 0.04 I 0.03 M 0.01 C Shift Assignments>> C :: 175.671 CA :: 55.793 CB :: 38.434 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 :: 7.058 HA :: 4.348 HB2 :: 3.071 HB3 :: 2.906 HD21 :: 7.674 HD22 :: 6.874 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 117.015 ND2 :: 113.366 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.G84 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 :: 174.602 CA :: 45.842 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.053 HA2 :: 4.224 HA3 :: 3.624 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 116.878 Ave N Shift Values>> N :: 109.67(3.87) 1.S85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 171.58 CA :: 59.28 CB :: 64.303 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.666 HA :: 4.407 HB2 :: 4.044 HB3 :: 3.981 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 :: 116.615 Ave N Shift Values>> N :: 116.28(3.52) 1.Q86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.28 M 0.26 C 0.23 E 0.11 K 0.09 C Shift Assignments>> C :: 175.033 CA :: 54.885 CB :: 30.733 CG :: 34.284 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 :: 8.381 HA :: 4.893 HB2 :: 1.893 HB3 :: 1.833 HG2 :: 2.214 HG3 :: 2.015 HE21 :: 7.077 HE22 :: 6.719 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 117.824 NE2 :: 112.665 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.F87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.87 Y 0.08 F 0.01 G 0.01 C Shift Assignments>> C :: 174.76 CA :: 56.009 CB :: 41.519 CD1 :: 128.529 CD2 :: 128.529 CE1 :: 131.959 CE2 :: 131.959 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 :: 8.974 HA :: 4.472 HB2 :: 2.433 HB3 :: 2.132 HD1 :: 6.496 HD2 :: 6.496 HE1 :: 7.174 HE2 :: 7.174 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 124.095 Ave N Shift Values>> N :: 120.45(4.18) 1.Q88 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.35 K 0.3 R 0.17 Q 0.14 HN Overlap>> 1.F69 1.F69 C Shift Assignments>> C :: 176.162 CA :: 56.57 CB :: 26.07 CG :: 33.225 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 9.139 HA :: 3.505 HB2 :: 1.804 HB3 :: 1.562 HG2 :: 1.288(S) HG3 :: 0.815(S) HE21 :: 7.162 HE22 :: 6.458 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 :: 126.108 NE2 :: 111.532 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.G89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.85 L 0.08 C 0.02 R 0.01 C Shift Assignments>> C :: 173.587 CA :: 45.382 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.58 HA2 :: 4.009 HA3 :: 3.549 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 103.132 Ave N Shift Values>> N :: 109.67(3.87) 1.K90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.43 C 0.41 R 0.1 G 0.02 C Shift Assignments>> C :: 174.5 CA :: 54.019 CB :: 35.919 CG :: 24.698 CD :: 28.721 CE :: 42.323 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 :: 7.457 HA :: 4.697 HB2 :: 1.853 HB3 :: 1.69 HG2 :: 1.375 HG3 :: 1.375 HD2 :: 1.362 HD3 :: 1.362 HE2 :: 2.987 HE3 :: 2.987 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 119.783 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.74 C 0.25 C Shift Assignments>> C :: 176.729 CA :: 63.176 CB :: 32.073 CG1 :: 21.534 CG2 :: 21.534 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 :: 8.256 HA :: 4.294 HB :: 1.875 HG11 :: 0.953 HG12 :: 0.953 HG13 :: 0.953 HG21 :: 0.827 HG22 :: 0.827 HG23 :: 0.827 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 :: 121.517 Ave N Shift Values>> N :: 121.14(4.54) 1.I92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.65 I 0.32 G 0.01 C Shift Assignments>> C :: 173.501 CA :: 59.249 CB :: 41.995 CG1 :: 26.476 CG2 :: 18.855 CD1 :: 15.187 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 :: 8.788 HA :: 4.533 HB :: 1.571 HG12 :: 1.35 HG13 :: 0.954 HG21 :: 0.809 HG22 :: 0.809 HG23 :: 0.809 HD11 :: 0.57 HD12 :: 0.57 HD13 :: 0.57 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 :: 124.746 Ave N Shift Values>> N :: 121.46(4.28) 1.R93 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.54 C 0.29 K 0.09 G 0.06 C Shift Assignments>> C :: 173.979 CA :: 53.178 CB :: 31.724 CG :: 26.784 CD :: 42.921 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 :: 8.5 HA :: 4.608 HB2 :: 1.231 HB3 :: 0.643(S) HG2 :: 1.361 HG3 :: 1.361 HD2 :: 2.948 HD3 :: 2.869 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 119.723 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.S94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.74 T 0.25 C Shift Assignments>> C :: 174.791 CA :: 54.419 CB :: 67.147 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.7 HA :: 5.685 HB2 :: 3.755 HB3 :: 3.435 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 :: 110.386 Ave N Shift Values>> N :: 116.28(3.52) 1.G95 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 :: 171.619 CA :: 45.904 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.36 HA2 :: 4.528 HA3 :: 4.365 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.738 Ave N Shift Values>> N :: 109.67(3.87) 1.T96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.81 C 0.18 C Shift Assignments>> C :: 175.6 CA :: 60.901 CB :: 71.709 CG2 :: 21.593 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 :: 9.274 HA :: 4.604 HB :: 4.912 HG21 :: 1.395 HG22 :: 1.395 HG23 :: 1.395 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 :: 111.493 Ave N Shift Values>> N :: 115.42(4.75) 1.I97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.81 C 0.18 HN Overlap>> 1.I66 1.I66 C Shift Assignments>> C :: 178.109 CA :: 65.826 CB :: 37.717 CG1 :: 30.496 CG2 :: 18.159 CD1 :: 14.25 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 :: 9.339 HA :: 3.881 HB :: 1.701 HG12 :: 1.66 HG13 :: 0.664 HG21 :: 0.695 HG22 :: 0.695 HG23 :: 0.695 HD11 :: 0.748 HD12 :: 0.748 HD13 :: 0.748 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 :: 121.293 Ave N Shift Values>> N :: 121.46(4.28) 1.N98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.21 C 0.21 F 0.16 E 0.13 N 0.11 I 0.04 D 0.04 M 0.04 L 0.01 C Shift Assignments>> C :: 178.04 CA :: 56.205 CB :: 37.719 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.162 HA :: 4.224 HB2 :: 2.679 HB3 :: 2.637 HD21 :: 7.67 HD22 :: 6.984 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 117.358 ND2 :: 113.107 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.D99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.27 Y 0.24 C 0.11 L 0.11 D 0.09 K 0.06 I 0.06 N 0.01 HN Overlap>> 1.F41 1.F41 C Shift Assignments>> C :: 177.813 CA :: 57.639 CB :: 40.497 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 :: 7.865 HA :: 4.236 HB2 :: 3.081 HB3 :: 2.807 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 :: 121.336 Ave N Shift Values>> N :: 120.65(3.86) 1.M100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 M 0.21 K 0.17 Q 0.15 R 0.01 C Shift Assignments>> C :: 178.081 CA :: 58.402 CB :: 32.263 CG :: 30.634 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 :: 7.874 HA :: 4.499 HB2 :: 1.845 HB3 :: 1.845 HG2 :: 2.572 HG3 :: 2.572 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 122.932 Ave N Shift Values>> N :: 120.09(3.57) 1.K101 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.55 K 0.41 R 0.02 C Shift Assignments>> C :: 178.102 CA :: 60.07 CB :: 32.468 CG :: 23.975 CD :: 29.806 CE :: 41.775 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 :: 7.994 HA :: 3.484 HB2 :: 1.506 HB3 :: 1.315 HG2 :: -0.293(S) HG3 :: -0.293(S) HD2 :: 1.009 HD3 :: 1.009 HE2 :: 3.11 HE3 :: 3.11 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 :: 118.764 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.R102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 R 0.41 G 0.07 K 0.05 HN Overlap>> 1.V8 1.V8 C Shift Assignments>> C :: 178.433 CA :: 59.485 CB :: 30.282 CG :: 27.786 CD :: 43.4 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 :: 8.088 HA :: 3.971 HB2 :: 1.86 HB3 :: 1.86 HG2 :: 1.731 HG3 :: 1.589 HD2 :: 3.205 HD3 :: 3.205 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 118.974 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.Y103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.98 C Shift Assignments>> C :: 177.819 CA :: 61.926 CB :: 39.373 CD1 :: 129.398 CD2 :: 129.398 CE1 :: 119.046 CE2 :: 119.046 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 :: 8.058 HA :: 4.017 HB2 :: 3.104 HB3 :: 2.809 HD1 :: 6.659 HD2 :: 6.659 HE1 :: 7.28 HE2 :: 7.28 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 :: 119.904 Ave N Shift Values>> N :: 120.52(4.2) 1.Y104 Overall: Suspicious Typing: Suspicious SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.99 HN Overlap>> 1.A75 1.A75 C Shift Assignments>> C :: 177.92 CA :: 61.764 CB :: 39.162 CD1 :: 128.384(S) CD2 :: 128.384(S) CE1 :: 117.588 CE2 :: 117.588 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 :: 7.846 HA :: 4.167 HB2 :: 3.516 HB3 :: 3.275 HD1 :: 7.176 HD2 :: 7.176 HE1 :: 6.725 HE2 :: 6.725 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 :: 119.418 Ave N Shift Values>> N :: 120.52(4.2) 1.N105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.21 N 0.19 F 0.18 C 0.16 D 0.1 L 0.04 E 0.03 I 0.03 M 0.01 C Shift Assignments>> C :: 176.906 CA :: 55.691 CB :: 38.472 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.499 HA :: 4.414 HB2 :: 2.819 HB3 :: 2.819 HD21 :: 7.516 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 117.373 ND2 :: 111.572 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.N106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.32 Y 0.15 D 0.14 F 0.13 C 0.13 L 0.04 E 0.02 M 0.01 I 0.01 C Shift Assignments>> C :: 176.45 CA :: 54.775 CB :: 38.543 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 :: 8.081 HA :: 4.531 HB2 :: 2.726 HB3 :: 2.726 HD21 :: 7.515 HD22 :: 6.841 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 118.101 ND2 :: 112.082 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.Q107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.28 K 0.27 C 0.25 R 0.08 E 0.04 M 0.04 C Shift Assignments>> C :: 176.907 CA :: 56.815 CB :: 28.61 CG :: 33.561 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 :: 7.772 HA :: 3.977 HB2 :: 1.96 HB3 :: 1.819 HG2 :: 2.233 HG3 :: 2.148 HE21 :: 7.358 HE22 :: 6.65 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 :: 118.903 NE2 :: 110.781 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Q108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.28 K 0.28 C 0.25 R 0.08 M 0.04 E 0.03 HN Overlap>> 1.L20 1.L20 C Shift Assignments>> C :: 176.321 CA :: 56.554 CB :: 28.65 CG :: 33.416 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 :: 7.854 HA :: 3.92 HB2 :: 1.899 HB3 :: 1.899 HG2 :: 2.118 HG3 :: 2.073 HE21 :: 7.67 HE22 :: 7.003 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 :: 118.101 NE2 :: 112.106 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.N109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.46 D 0.15 C 0.11 Y 0.09 F 0.09 L 0.04 E 0.01 M 0.01 C Shift Assignments>> CA :: 53.744 CB :: 38.586 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 :: 7.932 HA :: 4.488 HB2 :: 2.581 HB3 :: 2.581 HD21 :: 7.447 HD22 :: 6.803 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 117.229 ND2 :: 112.825 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.H110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.19 T 0.14 V 0.14 C 0.11 S 0.07 F 0.07 Y 0.07 W 0.05 P 0.02 E 0.02 R 0.02 K 0.01 H 0.01 Q 0.01 C Shift Assignments>> CA :: 60.813 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 :: 7.961 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 :: 118.498 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.W111 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> HE1 :: 10.059 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> NE1 :: 129.233 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.H112 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H113 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H114 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H115 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H116 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H117 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable ########################################################################### Overall Results: #Consistent: 109 #Clerical: 0 #Suspicious: 8 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 108 #Suspicious: 1 #Mistyped: 0 #Indeterminable: 8 Shift Relative Order (SRO) Results: #Consistent: 117 #Suspicious: 0 C Shift Results: #Consistent: 489 #Duplicate: 0 #Unknown: 0 #Suspicious: 3 #Anomalous: 0 H Shift Results: #Consistent: 799 #Duplicate: 0 #Unknown: 0 #Suspicious: 8 #Anomalous: 0 N Shift Results: #Consistent: 121 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.L11 CG = 22.416(S), Expected = 26.78, Std = 1.1000, ChiSquare = 7.2700e-05 1.L23 HA = 5.869(S), Expected = 4.32, Std = 0.4700, ChiSquare = 9.8161e-04 1.D61 HB2 = 1.809(S), Expected = 2.72, Std = 0.2600, ChiSquare = 4.5859e-04 1.G64 HA2 = 5.348(S), Expected = 3.97, Std = 0.3700, ChiSquare = 1.9584e-04 1.Q88 HG2 = 1.288(S), Expected = 2.32, Std = 0.2700, ChiSquare = 1.3225e-04 1.Q88 HG3 = 0.815(S), Expected = 2.29, Std = 0.2900, ChiSquare = 3.6530e-07 1.R93 HB3 = 0.643(S), Expected = 1.76, Std = 0.2800, ChiSquare = 6.6273e-05 1.K101 HG2 = -0.293(S), Expected = 1.37, Std = 0.2600, ChiSquare = 1.5934e-10 1.K101 HG3 = -0.293(S), Expected = 1.35, Std = 0.2800, ChiSquare = 4.4146e-09 1.Y104 Typing: Suspicious 1.Y104 CD1 = 128.384(S), Expected = 132.77, Std = 1.1700, ChiSquare = 1.7774e-04 1.Y104 CD2 = 128.384(S), Expected = 132.73, Std = 1.3000, ChiSquare = 8.2855e-04