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.A2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.D3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.24 A 0.2 D 0.13 L 0.07 M 0.06 H 0.04 R 0.03 Q 0.03 C 0.03 K 0.02 W 0.02 F 0.01 E 0.01 Y 0.01 C Shift Assignments>> CA :: 53.528 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 :: 8.091 HA :: 3.996 HB2 :: 2.501 HB3 :: 2.501 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 :: 119.181 Ave N Shift Values>> N :: 120.65(3.86) 1.D4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.11 M 0.11 H 0.09 Q 0.09 R 0.08 K 0.07 D 0.07 W 0.05 E 0.05 C 0.05 F 0.04 Y 0.04 N 0.02 A 0.02 S 0.01 HN Overlap>> 1.A8 1.A8 C Shift Assignments>> CA :: 55.781 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 :: 7.845 HA :: 4.423 HB2 :: 2.527 HB3 :: 2.527 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 :: 122.108 Ave N Shift Values>> N :: 120.65(3.86) 1.P5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.76 C 0.2 R 0.01 C Shift Assignments>> CA :: 63.685 CB :: 31.833 CG :: 26.856 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 :: 4.184 HB2 :: 2.045 HB3 :: 2.045 HG2 :: 1.742 HG3 :: 1.742 HD2 :: 3.480 HD3 :: 3.480 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.S6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.T76 1.T76 C Shift Assignments>> CA :: 59.088 CB :: 63.534 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.188 HA :: 4.123 HB2 :: 3.671 HB3 :: 3.587 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.787 Ave N Shift Values>> N :: 116.28(3.52) 1.A7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.8 M 0.17 C 0.01 C Shift Assignments>> CA :: 52.884 CB :: 18.694 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.638 HA :: 3.999 HB1 :: 1.181 HB2 :: 1.181 HB3 :: 1.181 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.621 Ave N Shift Values>> N :: 123.23(3.54) 1.A8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.55 A 0.33 I 0.05 C 0.03 HN Overlap>> 1.D4 1.D4 C Shift Assignments>> CA :: 55.700 CB :: 18.411 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.787 HA :: 3.960 HB1 :: 1.116 HB2 :: 1.116 HB3 :: 1.116 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.103 Ave N Shift Values>> N :: 123.23(3.54) 1.D9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 L 0.18 N 0.15 F 0.11 Y 0.09 C 0.06 K 0.05 C Shift Assignments>> CA :: 54.387 CB :: 40.623 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 :: 7.922 HA :: 4.272 HB2 :: 2.355 HB3 :: 2.355 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 :: 119.219 Ave N Shift Values>> N :: 120.65(3.86) 1.R10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.44 C 0.4 K 0.13 HN Overlap>> 1.N121 1.N121 C Shift Assignments>> CA :: 57.161 CB :: 29.881 CG :: 26.837 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 :: 8.000 HA :: 3.998 HB2 :: 1.653 HB3 :: 1.653 HG2 :: 1.344 HG3 :: 1.289 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 :: 121.967 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.N11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.29 C 0.18 Y 0.15 F 0.12 E 0.08 D 0.07 M 0.03 L 0.02 I 0.01 C Shift Assignments>> CA :: 54.914 CB :: 37.793 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 :: 8.037 HA :: 4.261 HB2 :: 2.551 HB3 :: 2.370 HD21 :: 7.011 HD22 :: 7.517 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 :: 117.836 ND2 :: 113.774 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.V12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.88 C 0.11 C Shift Assignments>> CA :: 65.406 CB :: 31.559 CG1 :: 20.934 CG2 :: 21.838 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 :: 7.690 HA :: 3.950 HB :: 1.899 HG11 :: 0.679 HG12 :: 0.679 HG13 :: 0.679 HG21 :: 0.759 HG22 :: 0.759 HG23 :: 0.759 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 :: 122.409 Ave N Shift Values>> N :: 121.14(4.54) 1.E13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 E 0.28 K 0.16 Q 0.16 I 0.05 M 0.03 C Shift Assignments>> CA :: 58.335 CB :: 29.406 CG :: 35.262 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 :: 7.656 HA :: 4.258 HB2 :: 1.370 HB3 :: 1.370 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.658 Ave N Shift Values>> N :: 120.67(3.48) 1.I14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.84 C 0.15 HN Overlap>> 1.W15 1.W15 C Shift Assignments>> CA :: 65.039 CB :: 37.456 CG1 :: 29.508 CG2 :: 16.833 CD1 :: 13.041 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 :: 7.687 HA :: 3.169 HB :: 1.519 HG12 :: 1.205 HG13 :: 0.456 HG21 :: 0.453 HG22 :: 0.453 HG23 :: 0.453 HD11 :: 0.450 HD12 :: 0.450 HD13 :: 0.450 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 :: 120.771 Ave N Shift Values>> N :: 121.46(4.28) 1.W15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.53 C 0.46 HN Overlap>> 1.I14 1.I14 C Shift Assignments>> CA :: 58.440 CB :: 28.405 CD1 :: 127.504 CE3 :: 121.085 CZ2 :: 114.873 CZ3 :: 122.203 CH2 :: 124.846 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 7.692 HA :: 4.283 HB2 :: 3.146 HB3 :: 3.051 HE1 :: 9.893 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>> N :: 120.814 NE1 :: 129.683 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.K16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 K 0.35 R 0.11 V 0.02 Q 0.01 C Shift Assignments>> CA :: 59.316 CB :: 32.138 CG :: 25.288 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 :: 7.852 HA :: 3.927 HB2 :: 1.696 HB3 :: 1.300 HG2 :: 1.135 HG3 :: 1.047 HE2 :: 2.432 HE3 :: 2.432 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 :: 119.482 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.72 C 0.27 C Shift Assignments>> CA :: 63.242 CB :: 36.526 CG1 :: 28.709 CG2 :: 18.426 CD1 :: 12.144 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 :: 7.485 HA :: 3.412 HB :: 1.690 HG12 :: 1.156 HG13 :: 1.156 HG21 :: 0.712 HG22 :: 0.712 HG23 :: 0.712 HD11 :: 0.619 HD12 :: 0.619 HD13 :: 0.619 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 :: 120.493 Ave N Shift Values>> N :: 121.46(4.28) 1.K18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.63 K 0.26 R 0.09 C Shift Assignments>> CA :: 61.026 CB :: 32.082 CG :: 26.553 CD :: 29.340 CE :: 41.533 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 :: 8.124 HA :: 3.538 HB2 :: 1.503 HB3 :: 1.462 HG2 :: 1.125 HG3 :: 1.125 HD2 :: 1.196 HD3 :: 1.196 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 :: 121.146 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 K 0.46 C Shift Assignments>> CA :: 58.945 CB :: 31.841 CG :: 24.389 CD :: 29.063 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 :: 7.465 HA :: 3.523 HB2 :: 1.343 HB3 :: 1.300 HG2 :: 0.999 HG3 :: 0.904 HD2 :: 1.186 HD3 :: 1.186 HE2 :: 2.967 HE3 :: 2.967 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 :: 119.139 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.53 C 0.43 R 0.02 C Shift Assignments>> CA :: 57.673 CB :: 41.492 CG :: 26.550 CD1 :: 23.377 CD2 :: 25.577 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 :: 7.434 HA :: 3.670 HB2 :: 1.425 HB3 :: 1.286 HD21 :: 0.732 HD22 :: 0.732 HD23 :: 0.732 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 :: 122.980 Ave N Shift Values>> N :: 121.86(3.9) 1.I21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.88 C 0.11 HN Overlap>> 1.N30 1.N30 C Shift Assignments>> CA :: 66.488 CB :: 38.085 CG1 :: 29.956 CG2 :: 17.009 CD1 :: 14.375 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 :: 8.323 HA :: 2.351 HB :: 1.482 HG12 :: 1.604 HG13 :: 1.604 HG21 :: 0.536 HG22 :: 0.536 HG23 :: 0.536 HD11 :: 0.365 HD12 :: 0.365 HD13 :: 0.365 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 :: 119.637 Ave N Shift Values>> N :: 121.46(4.28) 1.K22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 K 0.44 R 0.07 HN Overlap>> 1.L84 1.L84 C Shift Assignments>> CA :: 58.793 CB :: 31.845 CG :: 25.024 CE :: 41.900 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 :: 7.219 HA :: 3.749 HB2 :: 1.574 HB3 :: 1.574 HG2 :: 1.209 HG3 :: 1.209 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 :: 117.677 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.S23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.E104 1.E104 C Shift Assignments>> CA :: 61.139 CB :: 61.186 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.612 HA :: 4.055 HB2 :: 3.598 HB3 :: 3.598 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.708 Ave N Shift Values>> N :: 116.28(3.52) 1.L24 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.57 L 0.26 A 0.13 R 0.01 C Shift Assignments>> CA :: 56.540 CB :: 41.530 CG :: 25.670 CD1 :: 21.229 CD2 :: 25.728 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.905 HA :: 4.091 HG :: 1.717 HD11 :: -0.219(S) HD12 :: -0.219(S) HD13 :: -0.219(S) HD21 :: -0.289(S) HD22 :: -0.289(S) HD23 :: -0.289(S) 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 :: 121.115 Ave N Shift Values>> N :: 121.86(3.9) 1.E25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.34 I 0.12 K 0.09 Q 0.05 M 0.01 C Shift Assignments>> CA :: 58.627 CB :: 29.339 CG :: 36.192 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 :: 8.141 HA :: 3.747 HB2 :: 1.824 HB3 :: 1.727 HG2 :: 2.084 HG3 :: 1.982 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 :: 119.849 Ave N Shift Values>> N :: 120.67(3.48) 1.A26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.89 M 0.09 C 0.01 C Shift Assignments>> CA :: 52.001 CB :: 19.015 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.011 HA :: 4.039 HB1 :: 1.183 HB2 :: 1.183 HB3 :: 1.183 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 118.587 Ave N Shift Values>> N :: 123.23(3.54) 1.A27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.87 M 0.1 C 0.01 C Shift Assignments>> CA :: 52.464 CB :: 19.150 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 6.778 HA :: 3.969 HB1 :: 1.198 HB2 :: 1.198 HB3 :: 1.198 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.392 Ave N Shift Values>> N :: 123.23(3.54) 1.R28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 R 0.35 K 0.21 G 0.07 C Shift Assignments>> CA :: 54.087 CB :: 33.071 CG :: 26.217 CD :: 43.067 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 :: 8.729 HA :: 4.524 HB2 :: 1.552 HB3 :: 1.552 HG2 :: 1.221 HG3 :: 1.221 HD2 :: 3.088 HD3 :: 2.796 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 124.248 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.G29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.47 L 0.25 R 0.14 C 0.04 F 0.03 D 0.02 Y 0.01 C Shift Assignments>> CA :: 44.430 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.885 HA2 :: 4.196 HA3 :: 3.473 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.074 Ave N Shift Values>> N :: 109.67(3.87) 1.N30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.68 C 0.1 D 0.09 Y 0.03 F 0.03 L 0.01 M 0.01 HN Overlap>> 1.I21 1.I21 C Shift Assignments>> CA :: 51.800 CB :: 38.087 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 :: 8.324 HA :: 4.517 HB2 :: 2.398 HB3 :: 2.283 HD22 :: 7.243 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 119.621 ND2 :: 112.736 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.G31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 L 0.11 C 0.03 R 0.02 F 0.01 C Shift Assignments>> CA :: 45.170 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.973 HA2 :: 3.759 HA3 :: 3.581 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.519 Ave N Shift Values>> N :: 109.67(3.87) 1.T32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.42 V 0.41 C 0.11 L 0.03 C Shift Assignments>> CA :: 59.756 CG2 :: 21.509 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 :: 7.832 HA :: 4.571 HB :: 3.906 HG1 :: 4.683 HG21 :: 0.630 HG22 :: 0.630 HG23 :: 0.630 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 113.543 Ave N Shift Values>> N :: 115.42(4.75) 1.S33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 57.898 CB :: 64.394 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.540 HA :: 3.947 HB2 :: 3.741 HB3 :: 3.412 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.324 Ave N Shift Values>> N :: 116.28(3.52) 1.M34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.45 C 0.28 A 0.25 C Shift Assignments>> CA :: 54.772 CB :: 34.339 CG :: 31.148 CE :: 17.441 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 :: 8.449 HA :: 4.618 HB2 :: 0.945 HB3 :: 1.223 HG2 :: 1.542 HG3 :: 1.522 HE1 :: 0.712 HE2 :: 0.712 HE3 :: 0.712 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 121.290 Ave N Shift Values>> N :: 120.09(3.57) 1.I35 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>> CA :: 60.806 CB :: 39.958 CG1 :: 28.390 CG2 :: 17.765 CD1 :: 13.709 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 :: 9.446 HA :: 4.618 HB :: 1.616 HG12 :: 1.565 HG13 :: 0.945 HG21 :: 0.659 HG22 :: 0.659 HG23 :: 0.659 HD11 :: 0.686 HD12 :: 0.686 HD13 :: 0.686 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 126.810 Ave N Shift Values>> N :: 121.46(4.28) 1.S36 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 57.774 CB :: 63.000 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.549 HA :: 3.676 HB2 :: 1.865(S) HB3 :: 1.865(S) 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 :: 122.833 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>> G 0.65 C 0.16 L 0.14 R 0.01 A 0.01 C Shift Assignments>> CA :: 53.356 CB :: 45.207 CG :: 27.218 CD1 :: 24.000 CD2 :: 27.142 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 :: 8.542 HA :: 5.120 HB2 :: 1.581 HB3 :: 0.846 HG :: 0.991 HD11 :: 0.608 HD12 :: 0.608 HD13 :: 0.608 HD21 :: 0.400 HD22 :: 0.400 HD23 :: 0.400 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 :: 128.137 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 0.64 C 0.35 C Shift Assignments>> CA :: 60.623 CB :: 39.645 CG1 :: 27.233 CG2 :: 17.545 CD1 :: 13.064 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 :: 8.947 HA :: 4.377 HB :: 1.356 HG12 :: 1.125 HG13 :: 1.125 HG21 :: 0.423 HG22 :: 0.423 HG23 :: 0.423 HD11 :: 0.476 HD12 :: 0.476 HD13 :: 0.476 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 126.543 Ave N Shift Values>> N :: 121.46(4.28) 1.I39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 I 0.4 A 0.08 C Shift Assignments>> CA :: 57.415 CB :: 40.250 CG1 :: 25.759 CG2 :: 18.037 CD1 :: 14.622 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 :: 8.988 HA :: 4.308 HB :: 1.564 HG12 :: 1.142 HG13 :: 1.142 HG21 :: 0.682 HG22 :: 0.682 HG23 :: 0.682 HD11 :: 0.439 HD12 :: 0.439 HD13 :: 0.439 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 :: 129.738 Ave N Shift Values>> N :: 121.46(4.28) 1.P40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> R 0.48 P 0.33 K 0.14 M 0.02 Q 0.01 C Shift Assignments>> CB :: 30.862 CG :: 27.675 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 :: 4.656 HB2 :: 1.849 HB3 :: 1.849 HG2 :: 1.513 HG3 :: 1.513 HD2 :: 3.413 HD3 :: 3.413 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.P41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.78 C 0.18 R 0.01 C Shift Assignments>> CA :: 64.090 CB :: 32.143 CG :: 27.485 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 :: 4.727 HB2 :: 2.226 HB3 :: 2.226 HG2 :: 1.520 HG3 :: 1.520 HD2 :: 3.718 HD3 :: 3.718 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.K42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 K 0.45 C Shift Assignments>> CA :: 56.833 CB :: 30.174 CG :: 24.988 CD :: 28.782 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 :: 7.904 HA :: 3.802 HB2 :: 1.652 HB3 :: 1.652 HG2 :: 1.094 HG3 :: 1.094 HD2 :: 1.427 HD3 :: 1.427 HE2 :: 2.735 HE3 :: 2.735 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 :: 113.327 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 L 0.27 K 0.1 N 0.08 R 0.07 C 0.04 F 0.04 Y 0.02 G 0.01 C Shift Assignments>> CA :: 52.728 CB :: 42.112 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 :: 7.205 HA :: 4.394 HB2 :: 2.357 HB3 :: 2.284 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 :: 121.445 Ave N Shift Values>> N :: 120.65(3.86) 1.Q44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.47 C 0.25 Q 0.21 K 0.03 E 0.02 C Shift Assignments>> CA :: 53.874 CB :: 31.503 CG :: 33.388 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 :: 9.144 HA :: 4.306 HB2 :: 1.929 HB3 :: 1.580 HG2 :: 2.162 HG3 :: 2.162 HE22 :: 7.181 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 :: 117.453 NE2 :: 113.366 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.I45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.63 C 0.36 C Shift Assignments>> CA :: 63.394 CB :: 36.128 CG1 :: 27.473 CG2 :: 16.832 CD1 :: 10.833 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 :: 8.665 HA :: 3.249 HB :: 1.619 HG12 :: 1.054 HG13 :: 1.054 HG21 :: 0.616 HG22 :: 0.616 HG23 :: 0.616 HD11 :: 0.356 HD12 :: 0.356 HD13 :: 0.356 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 126.951 Ave N Shift Values>> N :: 121.46(4.28) 1.S46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 60.677 CB :: 61.589 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.351 HA :: 3.850 HB2 :: 3.651 HB3 :: 3.651 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 :: 113.533 Ave N Shift Values>> N :: 116.28(3.52) 1.R47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 R 0.34 K 0.1 P 0.02 C Shift Assignments>> CA :: 59.815 CB :: 29.957 CG :: 26.707 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 6.708 HA :: 3.793 HB2 :: 1.859 HB3 :: 1.701 HG2 :: 1.478 HG3 :: 1.478 HD2 :: 3.164 HD3 :: 3.164 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 124.278 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.V48 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>> CA :: 66.169 CB :: 31.486 CG1 :: 21.829 CG2 :: 22.188 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 :: 7.181 HA :: 3.157 HB :: 1.794 HG11 :: 0.745 HG12 :: 0.745 HG13 :: 0.745 HG21 :: 0.574 HG22 :: 0.574 HG23 :: 0.574 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 :: 122.069 Ave N Shift Values>> N :: 121.14(4.54) 1.A49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.62 A 0.3 I 0.04 C 0.02 C Shift Assignments>> CA :: 55.340 CB :: 17.744 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.645 HA :: 3.912 HB1 :: 1.146 HB2 :: 1.146 HB3 :: 1.146 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.917 Ave N Shift Values>> N :: 123.23(3.54) 1.K50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 K 0.46 C Shift Assignments>> CA :: 58.945 CB :: 31.811 CG :: 24.654 CD :: 28.587 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 :: 7.308 HA :: 3.798 HB2 :: 1.661 HB3 :: 1.661 HG2 :: 1.218 HG3 :: 1.164 HD2 :: 1.263 HD3 :: 1.263 HE2 :: 2.458 HE3 :: 2.458 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 :: 120.365 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.M51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.7 M 0.29 C Shift Assignments>> CA :: 58.861 CB :: 30.581 CG :: 30.907 CE :: 15.892 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 :: 7.530 HA :: 3.851 HB2 :: 2.017 HB3 :: 1.795 HG2 :: 2.221 HG3 :: 2.221 HE1 :: 1.343 HE2 :: 1.343 HE3 :: 1.343 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 121.881 Ave N Shift Values>> N :: 120.09(3.57) 1.L52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 L 0.34 R 0.1 HN Overlap>> 1.V101 1.V101 C Shift Assignments>> CA :: 57.598 CB :: 41.516 CG :: 26.529 CD1 :: 27.454 CD2 :: 22.581 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 :: 8.182 HA :: 3.529 HB2 :: 1.622 HB3 :: 1.056 HG :: 1.452 HD11 :: 0.610 HD12 :: 0.610 HD13 :: 0.610 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 :: 120.456 Ave N Shift Values>> N :: 121.86(3.9) 1.A53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.58 A 0.36 I 0.02 C 0.01 C Shift Assignments>> CA :: 54.786 CB :: 17.489 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.660 HA :: 3.880 HB1 :: 1.203 HB2 :: 1.203 HB3 :: 1.203 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.141 Ave N Shift Values>> N :: 123.23(3.54) 1.D54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.28 F 0.26 C 0.15 D 0.09 I 0.06 L 0.06 N 0.04 C Shift Assignments>> CA :: 57.085 CB :: 39.296 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 :: 8.104 HA :: 4.257 HB2 :: 2.745 HB3 :: 2.452 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 :: 122.138 Ave N Shift Values>> N :: 120.65(3.86) 1.Q55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.33 I 0.11 K 0.11 Q 0.06 C Shift Assignments>> CA :: 57.805 CB :: 28.714 CG :: 36.188 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 :: 8.044 HA :: 3.755 HB2 :: 2.005 HB3 :: 1.918 HG2 :: 2.360 HG3 :: 1.781 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 120.528 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.F56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.42 F 0.36 C 0.21 C Shift Assignments>> CA :: 61.639 CB :: 38.998 CD2 :: 132.029 CE2 :: 132.239 CZ :: 130.336 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 :: 3.705 HB2 :: 3.217 HB3 :: 2.875 HD2 :: 6.891 HE2 :: 7.069 HZ :: 7.030 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 :: 123.245 Ave N Shift Values>> N :: 120.45(4.18) 1.G57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 C 0.06 L 0.04 C Shift Assignments>> CA :: 47.057 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.871 HA2 :: 3.802 HA3 :: 3.714 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.799 Ave N Shift Values>> N :: 109.67(3.87) 1.T58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.56 T 0.41 C 0.02 HN Overlap>> 1.T99 1.T99 C Shift Assignments>> CA :: 65.875 CG2 :: 22.131 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 :: 7.916 HA :: 3.987 HB :: 3.944 HG21 :: 1.114 HG22 :: 1.114 HG23 :: 1.114 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 :: 118.648 Ave N Shift Values>> N :: 115.42(4.75) 1.A59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.66 M 0.3 C 0.01 C Shift Assignments>> CA :: 53.821 CB :: 18.399 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.199 HA :: 3.891 HB1 :: 0.989 HB2 :: 0.989 HB3 :: 0.989 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.374 Ave N Shift Values>> N :: 123.23(3.54) 1.S60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 61.196 CB :: 63.000 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.377 HA :: 3.698 HB2 :: 3.752 HB3 :: 3.622 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 :: 112.301 Ave N Shift Values>> N :: 116.28(3.52) 1.N61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.5 D 0.19 C 0.08 F 0.07 Y 0.06 L 0.05 C Shift Assignments>> CA :: 53.081 CB :: 39.012 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 :: 7.269 HA :: 4.470 HB2 :: 2.672 HB3 :: 2.563 HD21 :: 6.865 HD22 :: 7.268 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 116.986 ND2 :: 114.661 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.I62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.76 C 0.23 C Shift Assignments>> CA :: 63.205 CB :: 38.399 CG1 :: 29.016 CG2 :: 17.139 CD1 :: 13.709 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 :: 7.353 HA :: 3.611 HB :: 1.426 HG12 :: 1.519 HG13 :: 0.848 HG21 :: 0.786 HG22 :: 0.786 HG23 :: 0.786 HD11 :: 0.719 HD12 :: 0.719 HD13 :: 0.719 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 123.823 Ave N Shift Values>> N :: 121.46(4.28) 1.K63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 K 0.48 C Shift Assignments>> CA :: 58.746 CB :: 32.376 CG :: 24.897 CD :: 28.664 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 :: 8.298 HA :: 3.571 HB2 :: 1.572 HB3 :: 1.572 HG2 :: 1.319 HG3 :: 1.198 HD2 :: 1.421 HD3 :: 1.421 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 :: 128.921 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.S64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 T 0.01 C Shift Assignments>> CA :: 56.805 CB :: 65.460 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.493 HA :: 4.548 HB2 :: 4.232 HB3 :: 3.742 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 :: 114.291 Ave N Shift Values>> N :: 116.28(3.52) 1.R65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 R 0.35 K 0.06 P 0.03 C Shift Assignments>> CA :: 59.983 CB :: 29.958 CG :: 27.445 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 :: 8.572 HA :: 3.644 HB3 :: 1.588 HG2 :: 1.360 HG3 :: 1.289 HD2 :: 3.043 HD3 :: 3.043 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 :: 131.672 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.V66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.87 C 0.12 HN Overlap>> 1.Q80 1.Q80 C Shift Assignments>> CA :: 65.377 CB :: 31.527 CG1 :: 21.545 CG2 :: 20.254 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 :: 7.823 HA :: 3.483 HB :: 1.649 HG11 :: 0.729 HG12 :: 0.729 HG13 :: 0.729 HG21 :: 0.634 HG22 :: 0.634 HG23 :: 0.634 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 116.766 Ave N Shift Values>> N :: 121.14(4.54) 1.N67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.22 Y 0.19 C 0.18 F 0.15 D 0.08 E 0.07 L 0.03 M 0.02 I 0.02 HN Overlap>> 1.L139 1.L139 C Shift Assignments>> CA :: 55.451 CB :: 38.064 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 :: 7.283 HA :: 4.311 HB2 :: 2.545 HB3 :: 2.422 HD22 :: 7.324 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 119.541 ND2 :: 111.693 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.R68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 R 0.35 P 0.05 K 0.05 C Shift Assignments>> CA :: 59.925 CB :: 30.559 CG :: 26.840 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 :: 8.415 HA :: 3.548 HB2 :: 1.615 HB3 :: 1.615 HG2 :: 1.116 HG3 :: 1.116 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 122.027 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.L69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 L 0.44 C Shift Assignments>> CA :: 57.961 CB :: 40.767 CG :: 27.105 CD1 :: 22.483 CD2 :: 24.656 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 :: 8.029 HA :: 3.664 HB2 :: 1.581 HB3 :: 1.364 HG :: 1.610 HD11 :: 0.609 HD12 :: 0.609 HD13 :: 0.609 HD21 :: 0.633 HD22 :: 0.633 HD23 :: 0.633 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 :: 116.623 Ave N Shift Values>> N :: 121.86(3.9) 1.S70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 61.600 CB :: 62.858 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.527 HA :: 4.002 HB2 :: 3.809 HB3 :: 3.665 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 :: 116.631 Ave N Shift Values>> N :: 116.28(3.52) 1.V71 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>> CA :: 66.781 CB :: 31.803 CG1 :: 23.006 CG2 :: 21.769 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 :: 7.897 HA :: 3.529 HB :: 1.735 HG11 :: 0.778 HG12 :: 0.778 HG13 :: 0.778 HG21 :: 0.659 HG22 :: 0.659 HG23 :: 0.659 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 124.538 Ave N Shift Values>> N :: 121.14(4.54) 1.L72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.58 L 0.4 C Shift Assignments>> CA :: 58.259 CB :: 40.315 CG :: 25.600 CD1 :: 25.715 CD2 :: 22.158 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 :: 8.266 HA :: 3.631 HB2 :: 1.381 HB3 :: 1.268 HG :: 1.456 HD11 :: 0.346 HD12 :: 0.346 HD13 :: 0.346 HD21 :: -0.198 HD22 :: -0.198 HD23 :: -0.198 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 :: 118.498 Ave N Shift Values>> N :: 121.86(3.9) 1.G73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 C 0.06 L 0.04 C Shift Assignments>> CA :: 47.057 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.932 HA2 :: 3.735 HA3 :: 3.628 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.601 Ave N Shift Values>> N :: 109.67(3.87) 1.A74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.62 A 0.3 I 0.04 C 0.02 C Shift Assignments>> CA :: 55.379 CB :: 17.773 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.622 HA :: 4.070 HB1 :: 1.319 HB2 :: 1.319 HB3 :: 1.319 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 127.256 Ave N Shift Values>> N :: 123.23(3.54) 1.I75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.92 C 0.07 HN Overlap>> 1.N86 1.N86 C Shift Assignments>> CA :: 66.797 CB :: 38.411 CG1 :: 29.308 CG2 :: 18.060 CD1 :: 14.340 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 :: 8.528 HA :: 4.155 HB :: 1.661 HG12 :: 1.814 HG13 :: 0.794 HD11 :: 0.576 HD12 :: 0.576 HD13 :: 0.576 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 :: 119.402 Ave N Shift Values>> N :: 121.46(4.28) 1.T76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.59 T 0.38 C 0.01 HN Overlap>> 1.S6 1.S6 C Shift Assignments>> CA :: 66.462 CG2 :: 21.212 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 :: 8.189 HA :: 4.117 HB :: 4.068 HG1 :: 4.594 HG21 :: 1.036 HG22 :: 1.036 HG23 :: 1.036 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 115.787 Ave N Shift Values>> N :: 115.42(4.75) 1.S77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 62.366 CB :: 62.758 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.692 HA :: 3.947 HB2 :: 3.823 HB3 :: 3.823 HG :: 4.536 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 :: 118.438 Ave N Shift Values>> N :: 116.28(3.52) 1.V78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.71 C 0.28 C Shift Assignments>> CA :: 66.951 CB :: 31.000 CG1 :: 23.869 CG2 :: 23.388 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 :: 8.032 HA :: 3.438 HB :: 2.037 HG11 :: 0.883 HG12 :: 0.883 HG13 :: 0.883 HG21 :: 0.666 HG22 :: 0.666 HG23 :: 0.666 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 124.128 Ave N Shift Values>> N :: 121.14(4.54) 1.Q79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 K 0.24 Q 0.23 E 0.08 I 0.03 R 0.02 M 0.01 C Shift Assignments>> CA :: 59.396 CB :: 29.042 CG :: 34.009 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 :: 3.723 HB2 :: 2.177 HB3 :: 1.655 HG2 :: 2.201 HG3 :: 2.084 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 :: 119.563 NE2 :: 109.617 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Q80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 Q 0.25 K 0.23 R 0.1 E 0.04 I 0.01 M 0.01 HN Overlap>> 1.V66 1.V66 C Shift Assignments>> CA :: 58.442 CB :: 28.022 CG :: 33.666 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 :: 7.771 HA :: 3.702 HB2 :: 1.872 HB3 :: 1.950 HG2 :: 2.314 HG3 :: 2.206 HE22 :: 7.133 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 :: 116.756 NE2 :: 112.634 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.R81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.41 C 0.29 L 0.21 R 0.06 C Shift Assignments>> CA :: 56.546 CB :: 28.390 CG :: 24.888 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 :: 7.421 HA :: 3.901 HB2 :: 1.769 HB3 :: 1.666 HG2 :: 1.706 HG3 :: 1.373 HD2 :: 2.916 HD3 :: 2.916 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 :: 118.991 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.L82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.51 C 0.47 C Shift Assignments>> CA :: 57.493 CB :: 40.903 CG :: 26.219 CD1 :: 22.756 CD2 :: 25.269 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 :: 8.042 HA :: 3.777 HB2 :: 1.453 HB3 :: 1.245 HG :: 1.551 HD11 :: 0.438 HD12 :: 0.438 HD13 :: 0.438 HD21 :: 0.492 HD22 :: 0.492 HD23 :: 0.492 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 :: 117.296 Ave N Shift Values>> N :: 121.86(3.9) 1.K83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 K 0.42 R 0.1 Q 0.02 V 0.01 C Shift Assignments>> CA :: 57.704 CB :: 32.111 CG :: 24.941 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 :: 6.973 HA :: 3.839 HB2 :: 1.592 HB3 :: 1.592 HG2 :: 1.354 HG3 :: 1.223 HE2 :: 2.491 HE3 :: 2.491 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 :: 115.000 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.58 C 0.3 A 0.1 HN Overlap>> 1.K22 1.K22 C Shift Assignments>> CA :: 55.389 CB :: 40.608 CG :: 26.531 CD1 :: 24.949 CD2 :: 22.008 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 :: 7.166 HA :: 3.815 HB2 :: 1.490 HB3 :: 0.993 HG :: 1.468 HD11 :: 0.647 HD12 :: 0.647 HD13 :: 0.647 HD21 :: 0.544 HD22 :: 0.544 HD23 :: 0.544 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 :: 117.635 Ave N Shift Values>> N :: 121.86(3.9) 1.Y85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.66 C 0.33 C Shift Assignments>> CA :: 57.836 CB :: 39.633 CD1 :: 133.532 CE1 :: 118.052 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 :: 4.210 HB2 :: 2.549 HB3 :: 2.549 HD1 :: 6.916 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 :: 119.514 Ave N Shift Values>> N :: 120.52(4.2) 1.N86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.46 D 0.17 C 0.1 Y 0.09 F 0.08 L 0.05 HN Overlap>> 1.I75 1.I75 C Shift Assignments>> CA :: 53.671 CB :: 38.740 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.528 HA :: 4.480 HB2 :: 2.569 HB3 :: 2.569 HD22 :: 7.372 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 119.323 ND2 :: 113.463 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.K87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.63 K 0.23 A 0.1 V 0.01 C Shift Assignments>> CA :: 54.235 CB :: 34.673 CG :: 23.102 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 :: 7.532 HA :: 4.424 HB2 :: 1.621 HB3 :: 1.451 HG2 :: 1.136 HG3 :: 0.954 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 :: 116.166 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.55 C 0.44 C Shift Assignments>> CA :: 61.976 CB :: 32.351 CG1 :: 20.849 CG2 :: 23.444 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 :: 8.252 HA :: 3.523 HB :: 1.591 HG11 :: 0.695 HG12 :: 0.695 HG13 :: 0.695 HG21 :: 0.440 HG22 :: 0.440 HG23 :: 0.440 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 125.110 Ave N Shift Values>> N :: 121.14(4.54) 1.P89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> R 0.67 P 0.18 K 0.12 M 0.01 C Shift Assignments>> CB :: 29.924 CG :: 27.757 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 :: 4.408 HB2 :: 2.212 HB3 :: 2.212 HG2 :: 1.716 HG3 :: 1.716 HD2 :: 3.602 HD3 :: 3.602 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.P90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.54 C 0.44 C Shift Assignments>> CA :: 65.949 CB :: 29.635 CG :: 27.767 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 :: 4.386 HB2 :: 2.204 HB3 :: 2.204 HG2 :: 1.858 HG3 :: 1.858 HD2 :: 3.603 HD3 :: 3.603 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.N91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.62 C 0.16 M 0.04 Y 0.04 D 0.04 E 0.03 F 0.03 C Shift Assignments>> CA :: 52.082 CB :: 37.168 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.994 HA :: 4.507 HB2 :: 2.836 HB3 :: 2.429 HD21 :: 5.884 HD22 :: 5.884 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 :: 112.597 ND2 :: 107.349 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.G92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.36 L 0.29 D 0.07 K 0.07 F 0.06 Y 0.03 G 0.03 C 0.03 I 0.01 C Shift Assignments>> CA :: 43.010 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.707 HA2 :: 4.233 HA3 :: 2.842 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.681 Ave N Shift Values>> N :: 109.67(3.87) 1.L93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 A 0.25 G 0.19 L 0.16 C Shift Assignments>> CA :: 53.811 CB :: 47.421 CG :: 26.499 CD1 :: 24.353 CD2 :: 22.426 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 :: 8.460 HA :: 4.274 HB2 :: 1.106 HB3 :: 0.447 HG :: 0.628 HD11 :: 0.106 HD12 :: 0.106 HD13 :: 0.106 HD21 :: 0.341 HD22 :: 0.341 HD23 :: 0.341 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 :: 117.295 Ave N Shift Values>> N :: 121.86(3.9) 1.V94 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> V 0.5 C 0.49 C Shift Assignments>> CA :: 60.487 CB :: 32.168 CG1 :: 22.813 CG2 :: 20.825 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 :: 7.963 HA :: 4.232 HB :: 0.340(S) HG11 :: 0.042 HG12 :: 0.042 HG13 :: 0.042 HG21 :: 0.142 HG22 :: 0.142 HG23 :: 0.142 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 :: 126.280 Ave N Shift Values>> N :: 121.14(4.54) 1.V95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.61 V 0.38 HN Overlap>> 1.K109 1.K109 C Shift Assignments>> CA :: 60.199 CB :: 35.248 CG1 :: 22.417 CG2 :: 20.275 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 :: 8.439 HA :: 4.377 HB :: 1.487 HG11 :: 0.507 HG12 :: 0.507 HG13 :: 0.507 HG21 :: 0.467 HG22 :: 0.467 HG23 :: 0.467 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 125.189 Ave N Shift Values>> N :: 121.14(4.54) 1.Y96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.69 C 0.3 C Shift Assignments>> CA :: 56.419 CB :: 40.213 CD1 :: 133.280 CE1 :: 117.145 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 :: 8.463 HA :: 5.202 HB2 :: 1.807 HB3 :: 1.617 HD1 :: 6.647 HE1 :: 6.337 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 123.507 Ave N Shift Values>> N :: 120.52(4.2) 1.C97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.17 K 0.14 C 0.14 R 0.14 H 0.12 W 0.1 E 0.08 Q 0.05 V 0.01 C Shift Assignments>> CA :: 56.360 CB :: 31.857 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.437 HA :: 5.479 HB2 :: 2.531 HB3 :: 2.604 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 119.848 Ave N Shift Values>> N :: 120.17(4.64) 1.G98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 L 0.07 C 0.03 C Shift Assignments>> CA :: 45.827 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.700 HA2 :: 4.242 HA3 :: 4.222 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.556 Ave N Shift Values>> N :: 109.67(3.87) 1.T99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.47 V 0.47 C 0.05 HN Overlap>> 1.T58 1.T58 C Shift Assignments>> CA :: 62.220 CG2 :: 21.862 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 :: 7.921 HA :: 4.657 HB :: 4.004 HG21 :: 0.777 HG22 :: 0.777 HG23 :: 0.777 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 :: 118.753 Ave N Shift Values>> N :: 115.42(4.75) 1.I100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.55 C 0.43 A 0.01 C Shift Assignments>> CA :: 58.770 CB :: 40.261 CG1 :: 26.495 CG2 :: 17.832 CD1 :: 14.017 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 :: 8.706 HA :: 4.652 HB :: 1.748 HG12 :: 1.127 HG13 :: 0.680 HG21 :: 0.494 HG22 :: 0.494 HG23 :: 0.494 HD11 :: 0.546 HD12 :: 0.546 HD13 :: 0.546 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 :: 122.189 Ave N Shift Values>> N :: 121.46(4.28) 1.V101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.53 C 0.46 HN Overlap>> 1.L52 1.L52 C Shift Assignments>> CA :: 60.635 CB :: 32.910 CG1 :: 20.605 CG2 :: 20.737 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 :: 8.212 HA :: 4.457 HB :: 1.506 HG11 :: 0.599 HG12 :: 0.599 HG13 :: 0.599 HG21 :: 0.550 HG22 :: 0.550 HG23 :: 0.550 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 :: 120.539 Ave N Shift Values>> N :: 121.14(4.54) 1.T102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.45 V 0.44 C 0.07 L 0.01 C Shift Assignments>> CA :: 60.720 CG2 :: 21.529 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.770 HA :: 4.561 HB :: 4.278 HG21 :: 0.952 HG22 :: 0.952 HG23 :: 0.952 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 :: 118.651 Ave N Shift Values>> N :: 115.42(4.75) 1.E103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 E 0.32 I 0.18 K 0.08 Q 0.04 C Shift Assignments>> CA :: 58.930 CB :: 28.721 CG :: 36.197 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.124 HA :: 4.511 HB2 :: 1.842 HB3 :: 1.842 HG2 :: 2.032 HG3 :: 2.032 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 :: 121.812 Ave N Shift Values>> N :: 120.67(3.48) 1.E104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.42 C 0.32 K 0.09 Q 0.06 M 0.05 I 0.03 HN Overlap>> 1.S23 1.S23 C Shift Assignments>> CA :: 56.209 CB :: 29.636 CG :: 36.345 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 :: 7.612 HA :: 4.068 HB2 :: 1.905 HB3 :: 1.504 HG2 :: 2.072 HG3 :: 1.994 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 :: 115.809 Ave N Shift Values>> N :: 120.67(3.48) 1.G105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 L 0.11 C 0.03 R 0.01 F 0.01 C Shift Assignments>> CA :: 45.176 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.949 HA2 :: 3.874 HA3 :: 3.280 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.822 Ave N Shift Values>> N :: 109.67(3.87) 1.K106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.6 C 0.38 C Shift Assignments>> CA :: 54.570 CB :: 33.369 CG :: 24.927 CD :: 28.426 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 :: 6.838 HA :: 4.234 HB2 :: 1.428 HB3 :: 1.564 HG2 :: 1.053 HG3 :: 1.026 HD2 :: 1.350 HD3 :: 1.350 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 :: 119.483 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 E 0.36 M 0.18 Q 0.01 C Shift Assignments>> CA :: 55.470 CB :: 31.293 CG :: 37.000 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 :: 8.258 HA :: 4.885 HB2 :: 1.635 HB3 :: 1.505 HG2 :: 2.032 HG3 :: 1.752 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 :: 121.664 Ave N Shift Values>> N :: 120.67(3.48) 1.K108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 K 0.41 A 0.01 C Shift Assignments>> CA :: 54.922 CB :: 35.915 CG :: 24.367 CD :: 29.297 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 :: 8.785 HA :: 4.285 HB2 :: 1.274 HB3 :: 1.426 HG2 :: 0.948 HG3 :: 0.838 HD2 :: 1.336 HD3 :: 1.336 HE2 :: 2.551 HE3 :: 2.551 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 124.521 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.55 C 0.44 HN Overlap>> 1.V95 1.V95 C Shift Assignments>> CA :: 56.106 CB :: 32.411 CG :: 24.817 CD :: 28.704 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 :: 8.444 HA :: 4.423 HB2 :: 1.515 HB3 :: 1.515 HG2 :: 1.259 HG3 :: 1.187 HD2 :: 1.441 HD3 :: 1.441 HE2 :: 2.678 HE3 :: 2.678 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 :: 125.183 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.55 C 0.43 C Shift Assignments>> CA :: 61.081 CB :: 34.190 CG1 :: 20.929 CG2 :: 20.541 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 :: 8.716 HA :: 3.995 HB :: 1.803 HG11 :: 0.608 HG12 :: 0.608 HG13 :: 0.608 HG21 :: 0.549 HG22 :: 0.549 HG23 :: 0.549 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 :: 123.978 Ave N Shift Values>> N :: 121.14(4.54) 1.N111 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>> CA :: 53.336 CB :: 40.559 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 :: 8.569 HA :: 5.192 HB2 :: 2.428 HB3 :: 2.340 HD22 :: 7.308 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 125.873 ND2 :: 111.829 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.I112 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>> CA :: 60.032 CB :: 41.496 CG1 :: 27.456 CG2 :: 17.175 CD1 :: 13.706 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 :: 8.794 HA :: 4.490 HB :: 1.722 HG12 :: 1.267 HG13 :: 0.894 HG21 :: 0.835 HG22 :: 0.835 HG23 :: 0.835 HD11 :: 0.523 HD12 :: 0.523 HD13 :: 0.523 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 :: 125.462 Ave N Shift Values>> N :: 121.46(4.28) 1.D113 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.32 L 0.28 R 0.15 D 0.14 C 0.04 F 0.01 N 0.01 K 0.01 Y 0.01 C Shift Assignments>> CA :: 52.091 CB :: 43.707 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 :: 8.025 HA :: 5.732(S) HB2 :: 2.564 HB3 :: 2.357 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 :: 122.633 Ave N Shift Values>> N :: 120.65(3.86) 1.F114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.48 C 0.27 Y 0.24 C Shift Assignments>> CA :: 56.507 CB :: 39.707 CD1 :: 133.079 CE1 :: 129.882 CZ :: 128.414 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 :: 8.506 HA :: 4.556 HB2 :: 3.199 HB3 :: 2.546 HD1 :: 6.572 HE1 :: 6.644 HZ :: 6.572 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 :: 115.564 Ave N Shift Values>> N :: 120.45(4.18) 1.E115 Overall: Suspicious Typing: Suspicious SRO: Suspicious C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.49 C 0.3 Q 0.14 K 0.04 C Shift Assignments>> CA :: 51.719 CB :: 32.786 CG :: 31.185(S) Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.433 HA :: 4.605 HB2 :: 1.554 HB3 :: 1.506 HG2 :: 1.969 HG3 :: 1.969 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 :: 124.172 Ave N Shift Values>> N :: 120.67(3.48) SRO Rule Breaks>> (CG > CB : 0.9917) 1.P116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.57 C 0.31 R 0.06 K 0.02 Q 0.01 C Shift Assignments>> CA :: 62.210 CB :: 32.140 CG :: 27.145 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 :: 4.718 HB2 :: 2.109 HB3 :: 2.109 HG2 :: 1.835 HG3 :: 1.835 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.F117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.43 F 0.37 C 0.19 C Shift Assignments>> CA :: 54.194 CB :: 38.688 CD1 :: 132.491 CE1 :: 131.413 CZ :: 130.382 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 :: 7.524 HA :: 4.424 HB2 :: 2.632 HB3 :: 2.541 HD1 :: 7.019 HD2 :: 7.019 HE1 :: 6.950 HE2 :: 6.950 HZ :: 6.976 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 :: 116.450 Ave N Shift Values>> N :: 120.45(4.18) 1.K118 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.48 K 0.43 A 0.04 Q 0.02 C Shift Assignments>> CA :: 53.100 CB :: 33.875 CG :: 23.988 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 :: 6.725 HA :: 4.191 HB2 :: 1.297 HB3 :: 0.978 HG2 :: 0.641 HG3 :: 0.641 HE2 :: 2.140(S) HE3 :: 2.140(S) 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 :: 120.375 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.P119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.45 R 0.37 K 0.1 Q 0.05 M 0.01 C Shift Assignments>> CB :: 31.861 CG :: 27.168 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 :: 4.320 HB2 :: 1.783 HB3 :: 1.783 HG2 :: 1.725 HG3 :: 1.725 HD2 :: 3.206 HD3 :: 3.206 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.I120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.57 C 0.42 C Shift Assignments>> CA :: 59.214 CB :: 39.643 CG1 :: 27.648 CG2 :: 17.567 CD1 :: 14.027 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 :: 7.464 HA :: 4.004 HB :: 1.333 HG12 :: 1.297 HG13 :: 0.795 HG21 :: 0.688 HG22 :: 0.688 HG23 :: 0.688 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 :: 122.268 Ave N Shift Values>> N :: 121.46(4.28) 1.N121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.53 D 0.19 C 0.08 F 0.06 Y 0.06 L 0.05 HN Overlap>> 1.R10 1.R10 C Shift Assignments>> CA :: 52.868 CB :: 38.957 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 :: 8.000 HA :: 4.586 HB2 :: 2.562 HB3 :: 2.286 HD21 :: 6.470 HD22 :: 7.242 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 121.917 ND2 :: 112.936 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.T122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.49 T 0.38 C 0.06 I 0.04 C Shift Assignments>> CA :: 60.884 CG2 :: 20.592 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 :: 6.834 HA :: 4.047 HB :: 3.536 HG21 :: 0.780 HG22 :: 0.780 HG23 :: 0.780 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 115.126 Ave N Shift Values>> N :: 115.42(4.75) 1.S123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 56.389 CB :: 64.358 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.706 HB2 :: 3.485 HB3 :: 3.485 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 :: 116.430 Ave N Shift Values>> N :: 116.28(3.52) 1.L124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 G 0.32 L 0.19 A 0.04 C Shift Assignments>> CA :: 54.955 CB :: 46.780 CG :: 26.858 CD1 :: 23.343 CD2 :: 25.849 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 :: 8.317 HA :: 4.402 HB2 :: 1.242 HB3 :: 1.123 HG :: 1.113 HD11 :: 0.601 HD12 :: 0.601 HD13 :: 0.601 HD21 :: 0.510 HD22 :: 0.510 HD23 :: 0.510 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 :: 127.000 Ave N Shift Values>> N :: 121.86(3.9) 1.Y125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.66 C 0.32 C Shift Assignments>> CA :: 58.344 CB :: 39.644 CD1 :: 132.874 CE1 :: 117.777 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 :: 8.071 HA :: 4.919 HB2 :: 2.302 HB3 :: 2.515 HD1 :: 6.711 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 :: 125.780 Ave N Shift Values>> N :: 120.52(4.2) 1.L126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 G 0.27 L 0.24 A 0.07 C Shift Assignments>> CA :: 53.789 CB :: 47.153 CG :: 26.817 CD1 :: 23.458 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 :: 8.038 HA :: 4.011 HB2 :: 1.070 HB3 :: 0.934 HG :: 1.056 HD11 :: 0.452 HD12 :: 0.452 HD13 :: 0.452 HD21 :: 0.117 HD22 :: 0.117 HD23 :: 0.117 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 :: 128.244 Ave N Shift Values>> N :: 121.86(3.9) 1.C127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.23 L 0.22 C 0.15 K 0.09 Q 0.09 W 0.05 H 0.05 I 0.04 E 0.03 C Shift Assignments>> CA :: 56.941 CB :: 26.529 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.164 HA :: 4.843 HB2 :: 2.561 HB3 :: 2.230 HG :: 1.314 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 :: 123.926 Ave N Shift Values>> N :: 120.17(4.64) 1.D128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.67 L 0.17 R 0.05 D 0.04 C 0.03 C Shift Assignments>> CA :: 52.442 CB :: 44.618 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 :: 8.991 HA :: 4.848 HB2 :: 2.480 HB3 :: 2.423 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 127.559 Ave N Shift Values>> N :: 120.65(3.86) 1.N129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.6 C 0.12 D 0.08 Y 0.06 F 0.05 E 0.02 M 0.02 L 0.01 C Shift Assignments>> CA :: 52.780 CB :: 37.902 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 :: 8.985 HA :: 4.534 HB2 :: 2.814 HB3 :: 2.368 HD21 :: 7.145 HD22 :: 7.145 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 119.184 ND2 :: 110.551 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.K130 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.57 A 0.37 K 0.04 C Shift Assignments>> CA :: 54.315 CB :: 33.947 CG :: 21.585 CD :: 28.696 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 :: 6.984 HA :: 4.021 HB2 :: 1.485 HB3 :: 1.373 HG2 :: 0.312(S) HG3 :: 0.945 HD2 :: 1.160 HD3 :: 1.160 HE2 :: 2.368 HE3 :: 2.368 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 :: 113.846 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.F131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.42 F 0.35 C 0.21 C Shift Assignments>> CA :: 56.712 CB :: 39.029 CD1 :: 132.600 CE1 :: 131.960 CZ :: 128.852 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 :: 9.313 HA :: 4.555 HB2 :: 2.458 HB3 :: 2.162 HD1 :: 7.033 HE1 :: 6.890 HZ :: 6.577 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 :: 121.139 Ave N Shift Values>> N :: 120.45(4.18) 1.H132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.36 W 0.32 C 0.31 C Shift Assignments>> CA :: 56.460 CB :: 28.243 CD2 :: 119.204 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 :: 8.762 HA :: 3.638 HD2 :: 7.210 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 120.875 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.T133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.46 T 0.46 C 0.05 C Shift Assignments>> CA :: 61.679 CG2 :: 21.325 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 :: 8.615 HA :: 4.543 HG21 :: 0.671 HG22 :: 0.671 HG23 :: 0.671 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 :: 118.102 Ave N Shift Values>> N :: 115.42(4.75) 1.E134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 I 0.29 E 0.13 Q 0.05 K 0.05 R 0.01 C Shift Assignments>> CA :: 60.382 CB :: 27.487 CG :: 35.577 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 :: 10.131 HA :: 3.914 HB2 :: 1.848 HB3 :: 1.848 HG2 :: 2.327 HG3 :: 2.206 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 :: 128.414 Ave N Shift Values>> N :: 120.67(3.48) 1.A135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.59 M 0.35 C 0.02 I 0.01 C Shift Assignments>> CA :: 54.377 CB :: 18.535 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.924 HA :: 3.955 HB1 :: 1.115 HB2 :: 1.115 HB3 :: 1.115 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.021 Ave N Shift Values>> N :: 123.23(3.54) 1.L136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.57 C 0.34 R 0.04 A 0.03 C Shift Assignments>> CA :: 56.009 CB :: 41.484 CG :: 26.867 CD1 :: 26.225 CD2 :: 22.456 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 :: 7.369 HA :: 3.895 HB2 :: 1.738 HB3 :: 1.222 HG :: 1.456 HD11 :: 0.853 HD12 :: 0.853 HD13 :: 0.853 HD21 :: 0.726 HD22 :: 0.726 HD23 :: 0.726 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 116.296 Ave N Shift Values>> N :: 121.86(3.9) 1.T137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.55 T 0.42 C 0.02 C Shift Assignments>> CA :: 65.513 CG2 :: 22.142 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 :: 7.823 HA :: 3.585 HB :: 3.517 HG21 :: 0.692 HG22 :: 0.692 HG23 :: 0.692 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 117.446 Ave N Shift Values>> N :: 115.42(4.75) 1.A138 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.54 A 0.4 I 0.02 C 0.02 C Shift Assignments>> CA :: 54.786 CB :: 17.745 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.655 HA :: 3.840 HB1 :: 1.205 HB2 :: 1.205 HB3 :: 1.205 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.451 Ave N Shift Values>> N :: 123.23(3.54) 1.L139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.66 C 0.29 R 0.02 HN Overlap>> 1.N67 1.N67 C Shift Assignments>> CA :: 55.464 CB :: 41.835 CG :: 26.840 CD1 :: 24.945 CD2 :: 24.331 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 :: 7.282 HA :: 4.306 HB2 :: 1.642 HB3 :: 1.605 HD11 :: 0.593 HD12 :: 0.593 HD13 :: 0.593 HD21 :: 0.641 HD22 :: 0.641 HD23 :: 0.641 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 :: 119.516 Ave N Shift Values>> N :: 121.86(3.9) 1.L140 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.62 C 0.35 C Shift Assignments>> CA :: 56.538 CB :: 41.187 CG :: 26.525 CD1 :: 24.359 CD2 :: 25.447 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 :: 7.639 HA :: 3.904 HB2 :: 1.449 HB3 :: 1.449 HG :: 1.565 HD11 :: 0.609 HD12 :: 0.609 HD13 :: 0.609 HD21 :: 0.620 HD22 :: 0.620 HD23 :: 0.620 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 :: 117.539 Ave N Shift Values>> N :: 121.86(3.9) 1.S141 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 61.472 CB :: 63.648 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.608 HA :: 4.050 HB2 :: 3.564 HB3 :: 3.564 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.496 Ave N Shift Values>> N :: 116.28(3.52) 1.D142 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.2 L 0.19 F 0.18 Y 0.15 K 0.11 C 0.08 N 0.04 I 0.01 C Shift Assignments>> CA :: 56.194 CB :: 40.852 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 :: 7.905 HA :: 4.114 HB2 :: 2.667 HB3 :: 2.667 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 :: 121.853 Ave N Shift Values>> N :: 120.65(3.86) ########################################################################### Overall Results: #Consistent: 135 #Clerical: 0 #Suspicious: 7 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 139 #Suspicious: 1 #Mistyped: 0 #Indeterminable: 2 Shift Relative Order (SRO) Results: #Consistent: 141 #Suspicious: 1 C Shift Results: #Consistent: 443 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 H Shift Results: #Consistent: 953 #Duplicate: 0 #Unknown: 0 #Suspicious: 13 #Anomalous: 0 N Shift Results: #Consistent: 146 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.L24 HD11 = -0.219(S), Expected = 0.75, Std = 0.2800, ChiSquare = 5.3874e-04 1.L24 HD12 = -0.219(S), Expected = 0.75, Std = 0.2800, ChiSquare = 5.3874e-04 1.L24 HD13 = -0.219(S), Expected = 0.75, Std = 0.2800, ChiSquare = 5.3874e-04 1.L24 HD21 = -0.289(S), Expected = 0.73, Std = 0.2900, ChiSquare = 4.4176e-04 1.L24 HD22 = -0.289(S), Expected = 0.73, Std = 0.2900, ChiSquare = 4.4176e-04 1.L24 HD23 = -0.289(S), Expected = 0.73, Std = 0.2900, ChiSquare = 4.4176e-04 1.S36 HB2 = 1.865(S), Expected = 3.88, Std = 0.2500, ChiSquare = 7.6294e-16 1.S36 HB3 = 1.865(S), Expected = 3.85, Std = 0.2700, ChiSquare = 1.9548e-13 1.V94 HB = 0.340(S), Expected = 1.98, Std = 0.3200, ChiSquare = 2.9754e-07 1.D113 HA = 5.732(S), Expected = 4.59, Std = 0.3200, ChiSquare = 3.5869e-04 1.E115 Typing: Suspicious 1.E115 CG = 31.185(S), Expected = 36.11, Std = 1.1900, ChiSquare = 3.4935e-05 1.E115 SRO Rule Break>> CG > CB : 0.99165623696287 1.K118 HE2 = 2.140(S), Expected = 2.92, Std = 0.1900, ChiSquare = 4.0385e-05 1.K118 HE3 = 2.140(S), Expected = 2.91, Std = 0.2000, ChiSquare = 1.1812e-04 1.K130 HG2 = 0.312(S), Expected = 1.37, Std = 0.2600, ChiSquare = 4.7169e-05