Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> R 0.34 L 0.27 G 0.14 C 0.09 D 0.04 F 0.03 K 0.02 Y 0.02 C Shift Assignments>> CA :: 43.693 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> HA2 :: 3.902 HA3 :: 3.902 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) 1.S2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> CA :: 58.400 CB :: 63.991 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> HA :: 4.523 HB2 :: 3.865 HB3 :: 3.865 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) 1.H3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> H 0.35 W 0.35 C 0.29 C Shift Assignments>> CA :: 56.420 CB :: 30.354 CD2 :: 119.994 CE1 :: 138.066 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> HA :: 4.690 HB2 :: 3.142 HB3 :: 3.209 HD2 :: 7.117 HE1 :: 8.060 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) 1.M4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.19 K 0.17 C 0.17 Q 0.11 R 0.09 H 0.08 W 0.07 E 0.05 V 0.01 C Shift Assignments>> CA :: 55.618 CB :: 32.684 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 8.381 HA :: 4.446 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 122.067 Ave N Shift Values>> N :: 120.1(3.88) 1.A5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.74 M 0.21 C 0.02 C Shift Assignments>> CA :: 52.657 CB :: 19.185 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.389 HA :: 4.338 HB1 :: 1.422 HB2 :: 1.422 HB3 :: 1.422 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.650 Ave N Shift Values>> N :: 123.23(3.7) 1.M6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.2 C 0.18 K 0.17 Q 0.14 R 0.07 H 0.07 W 0.06 E 0.04 V 0.01 HN Overlap>> 1.D28 1.D28 C Shift Assignments>> CA :: 55.336 CB :: 32.906 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 8.325 HA :: 4.433 HB2 :: 2.044 HB3 :: 1.966 HG2 :: 2.507 HG3 :: 2.507 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 119.690 Ave N Shift Values>> N :: 120.1(3.88) 1.A7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.74 M 0.2 C 0.03 L 0.01 C Shift Assignments>> CA :: 52.588 CB :: 19.739 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.132 HA :: 4.285 HB1 :: 1.326 HB2 :: 1.326 HB3 :: 1.326 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.523 Ave N Shift Values>> N :: 123.23(3.7) 1.Y8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.52 C 0.46 C Shift Assignments>> CA :: 58.131 CB :: 37.735 CD1 :: 133.206 CE1 :: 118.161 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 8.503 HA :: 4.531 HB2 :: 2.858 HB3 :: 3.654 HD1 :: 7.063 HD2 :: 7.063 HE1 :: 6.853 HE2 :: 6.853 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 118.674 Ave N Shift Values>> N :: 120.79(4.69) 1.V9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.65 C 0.34 C Shift Assignments>> CA :: 61.519 CB :: 33.707 CG1 :: 20.364 CG2 :: 20.558 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.320 HA :: 4.361 HB :: 1.673 HG11 :: 0.492 HG12 :: 0.492 HG13 :: 0.492 HG21 :: 0.365 HG22 :: 0.365 HG23 :: 0.365 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 119.301 Ave N Shift Values>> N :: 121.02(4.96) 1.I10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.65 C 0.33 C Shift Assignments>> CA :: 60.094 CB :: 40.242 CG1 :: 26.911 CG2 :: 17.757 CD1 :: 13.278 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.669 HA :: 4.366 HB :: 1.849 HG12 :: 1.331 HG13 :: 1.037 HG21 :: 0.809 HG22 :: 0.809 HG23 :: 0.809 HD11 :: 0.805 HD12 :: 0.805 HD13 :: 0.805 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 124.599 Ave N Shift Values>> N :: 121.6(4.72) 1.R11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 R 0.31 K 0.2 G 0.09 HN Overlap>> 1.K71 1.K71 C Shift Assignments>> CA :: 54.230 CB :: 33.050 CG :: 27.668 CD :: 43.329 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.199 HA :: 5.160 HB2 :: 1.588 HB3 :: 1.588 HG2 :: 1.465 HG3 :: 1.390 HD2 :: 3.038 HD3 :: 3.038 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 122.178 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.D12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 L 0.19 N 0.13 C 0.11 K 0.09 F 0.04 Y 0.03 R 0.03 C Shift Assignments>> CA :: 52.663 CB :: 41.515 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.546 HA :: 4.613 HB2 :: 2.724 HB3 :: 3.304 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 122.441 Ave N Shift Values>> N :: 120.73(4.2) 1.E13 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.28 E 0.22 K 0.19 Q 0.19 I 0.05 R 0.02 M 0.02 C Shift Assignments>> CA :: 58.121 CB :: 28.675 CG :: 34.895 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.918 HA :: 3.942 HB2 :: 1.513 HB3 :: 1.412 HG2 :: 1.253(S) HG3 :: 1.253(S) Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 117.521 Ave N Shift Values>> N :: 120.68(3.68) 1.W14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.53 C 0.42 H 0.04 C Shift Assignments>> CA :: 57.033 CB :: 29.102 CD1 :: 126.963 CE3 :: 120.733 CZ2 :: 114.733 CZ3 :: 122.149 CH2 :: 124.748 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 8.001 HA :: 4.760 HB2 :: 3.179 HB3 :: 3.556 HD1 :: 7.257 HE1 :: 10.070 HE3 :: 7.665 HZ2 :: 7.461 HZ3 :: 7.169 HH2 :: 7.220 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 120.482 NE1 :: 129.131 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.G15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.77 L 0.08 C 0.07 R 0.03 C Shift Assignments>> CA :: 45.312 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.114 HA2 :: 4.327 HA3 :: 3.630 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.765 Ave N Shift Values>> N :: 109.91(4.29) 1.N16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.42 D 0.19 C 0.16 Y 0.08 F 0.07 L 0.03 E 0.01 C Shift Assignments>> CA :: 53.269 CB :: 38.815 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.840 HA :: 4.766 HB2 :: 3.031 HB3 :: 2.722 HD21 :: 8.848 HD22 :: 7.281 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 121.269 ND2 :: 118.532 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.Q17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.24 Q 0.23 E 0.18 K 0.16 M 0.14 R 0.01 C Shift Assignments>> CA :: 56.172 CB :: 30.152 CG :: 34.373 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.663 HA :: 4.565 HB2 :: 1.467 HB3 :: 1.782 HG2 :: 1.550 HG3 :: 2.061 HE21 :: 6.804 HE22 :: 6.856 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 121.423 NE2 :: 111.320 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.I18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.66 C 0.33 C Shift Assignments>> CA :: 60.093 CB :: 40.590 CG1 :: 27.220 CG2 :: 17.644 CD1 :: 13.233 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.560 HA :: 4.481 HB :: 1.700 HG12 :: 1.435 HG13 :: 1.132 HG21 :: 0.972 HG22 :: 0.972 HG23 :: 0.972 HD11 :: 0.857 HD12 :: 0.857 HD13 :: 0.857 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 124.635 Ave N Shift Values>> N :: 121.6(4.72) 1.W19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 W 0.45 H 0.01 C Shift Assignments>> CA :: 59.161 CB :: 31.670 CD1 :: 128.404 CE3 :: 122.105 CZ2 :: 114.674 CH2 :: 124.440 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 8.948 HA :: 4.803 HB2 :: 2.813 HB3 :: 3.046 HD1 :: 7.764 HE1 :: 10.571 HE3 :: 7.865 HZ2 :: 7.456 HZ3 :: 7.119 HH2 :: 7.154 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 127.871 NE1 :: 130.308 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.I20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.5 C 0.48 A 0.01 C Shift Assignments>> CA :: 58.467 CB :: 39.108 CG1 :: 27.142 CG2 :: 17.153 CD1 :: 11.278 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.702 HA :: 4.087 HB :: 1.794 HG12 :: 1.329 HG13 :: 1.086 HG21 :: 0.627 HG22 :: 0.627 HG23 :: 0.627 HD11 :: 0.636 HD12 :: 0.636 HD13 :: 0.636 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 121.947 Ave N Shift Values>> N :: 121.6(4.72) 1.C21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.19 K 0.17 C 0.17 R 0.1 H 0.09 Q 0.09 W 0.08 E 0.06 V 0.01 C Shift Assignments>> CA :: 55.646 CB :: 32.443 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.979 HA :: 5.252 HB2 :: 1.941 HB3 :: 3.568 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 130.140 Ave N Shift Values>> N :: 119.95(4.79) 1.P22 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> P 0.8 C 0.19 C Shift Assignments>> CA :: 63.157 CB :: 31.835 CG :: 27.879 CD :: 50.768 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.208 HB2 :: 1.989 HB3 :: 1.711 HG2 :: 1.459 HG3 :: 1.101 HD2 :: 1.518(S) HD3 :: 4.408 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.G23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 C 0.11 L 0.05 C Shift Assignments>> CA :: 46.228 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.790 HA2 :: 4.271 HA3 :: 3.859 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.005 Ave N Shift Values>> N :: 109.91(4.29) 1.C24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.17 K 0.16 M 0.14 R 0.1 W 0.1 H 0.08 E 0.08 Q 0.07 V 0.04 C Shift Assignments>> CA :: 57.457 CB :: 32.356 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.686 HA :: 5.079 HB2 :: 3.224 HB3 :: 3.259 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 116.674 Ave N Shift Values>> N :: 119.95(4.79) 1.N25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.24 N 0.18 Y 0.18 F 0.12 E 0.1 D 0.07 I 0.02 M 0.02 L 0.01 C Shift Assignments>> CA :: 55.424 CB :: 37.901 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.949 HA :: 4.413 HB2 :: 2.925 HB3 :: 3.170 HD21 :: 7.502 HD22 :: 6.784 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 120.353 ND2 :: 112.094 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.K26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.45 C 0.32 R 0.17 M 0.02 G 0.02 C Shift Assignments>> CA :: 53.909 CB :: 33.027 CG :: 25.017 CD :: 28.988 CE :: 42.451 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.581 HA :: 5.040 HB2 :: 2.421 HB3 :: 2.093 HG2 :: 1.491 HG3 :: 1.668 HD2 :: 1.762 HD3 :: 1.762 HE2 :: 3.079 HE3 :: 3.079 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 119.499 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.P27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.67 C 0.32 C Shift Assignments>> CA :: 62.288 CB :: 33.497 CG :: 27.200 CD :: 50.954 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 5.087 HB2 :: 2.207 HB3 :: 2.047 HG2 :: 1.978 HG3 :: 1.978 HD2 :: 3.840 HD3 :: 3.748 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.D28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.27 R 0.17 D 0.15 K 0.14 C 0.1 F 0.05 Y 0.04 N 0.02 G 0.01 HN Overlap>> 1.M6 1.M6 C Shift Assignments>> CA :: 54.850 CB :: 42.555 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.251 HA :: 4.559 HB2 :: 2.589 HB3 :: 3.025 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 119.646 Ave N Shift Values>> N :: 120.73(4.2) 1.D29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.33 L 0.17 N 0.16 C 0.11 K 0.08 F 0.05 Y 0.04 R 0.02 C Shift Assignments>> CA :: 52.561 CB :: 41.321 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 9.437 HA :: 4.843 HB2 :: 3.166 HB3 :: 2.596 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 130.400 Ave N Shift Values>> N :: 120.73(4.2) 1.G30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.78 L 0.08 C 0.07 R 0.03 C Shift Assignments>> CA :: 45.369 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.731 HA2 :: 4.378 HA3 :: 3.783 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.921 Ave N Shift Values>> N :: 109.91(4.29) 1.S31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 58.218 CB :: 61.164 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.334 HA :: 4.594 HB2 :: 3.955 HB3 :: 4.068 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 118.131 Ave N Shift Values>> N :: 116.3(3.95) 1.P32 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Indeterminable PRTL>> P 0.87 C 0.11 C Shift Assignments>> CA :: 64.383 CB :: 30.222 CG :: 27.680 CD :: 50.044 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.488 HB2 :: 0.295(S) HB3 :: -0.158(A) HG2 :: 1.308 HG3 :: 1.352 HD2 :: 3.621 HD3 :: 3.468 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.M33 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 A 0.44 G 0.02 C Shift Assignments>> CA :: 54.753 CB :: 42.358(A) CG :: 34.667 CE :: 17.741 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 8.637 HA :: 5.717 HB2 :: 2.370 HB3 :: 1.787 HG2 :: 1.939 HG3 :: 2.993 HE1 :: 1.437 HE2 :: 1.437 HE3 :: 1.437 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 119.268 Ave N Shift Values>> N :: 120.1(3.88) 1.I34 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.77 G 0.2 I 0.01 C Shift Assignments>> CA :: 59.472 CB :: 43.191 CG1 :: 27.352 CG2 :: 12.685 CD1 :: 14.845 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 9.824 HA :: 5.199 HB :: 1.146 HG12 :: 1.345 HG13 :: 0.362 HG21 :: -0.274(S) HG22 :: -0.274(S) HG23 :: -0.274(S) HD11 :: -0.399(S) HD12 :: -0.399(S) HD13 :: -0.399(S) Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 125.246 Ave N Shift Values>> N :: 121.6(4.72) 1.G35 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> R 0.3 L 0.29 K 0.1 C 0.07 D 0.07 F 0.05 Y 0.03 G 0.02 I 0.01 C Shift Assignments>> CA :: 42.848 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.558 HA2 :: 3.697 HA3 :: 1.044(A) Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 115.216 Ave N Shift Values>> N :: 109.91(4.29) 1.C36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.17 V 0.17 W 0.14 R 0.09 E 0.08 K 0.06 I 0.06 H 0.05 M 0.05 P 0.04 Q 0.03 C Shift Assignments>> CA :: 60.279 CB :: 31.492 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.724 HA :: 4.547 HB2 :: 3.526 HB3 :: 2.834 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 126.228 Ave N Shift Values>> N :: 119.95(4.79) 1.D37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.19 F 0.19 Y 0.15 C 0.13 L 0.13 D 0.07 R 0.05 I 0.03 C Shift Assignments>> CA :: 57.594 CB :: 41.263 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 9.144 HA :: 4.739 HB2 :: 1.890 HB3 :: 2.749 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 129.754 Ave N Shift Values>> N :: 120.73(4.2) 1.D38 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.29 L 0.26 C 0.11 K 0.08 D 0.06 F 0.06 G 0.04 Y 0.04 C Shift Assignments>> CA :: 56.255 CB :: 43.317 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 9.652 HA :: 5.155 HB2 :: 2.649 HB3 :: 3.795(S) Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 123.885 Ave N Shift Values>> N :: 120.73(4.2) 1.C39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.23 C 0.19 W 0.11 K 0.08 R 0.07 E 0.06 P 0.06 M 0.05 H 0.04 I 0.04 Q 0.02 C Shift Assignments>> CA :: 60.392 CB :: 32.199 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.257 HA :: 4.697 HB2 :: 3.298 HB3 :: 2.768 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 119.447 Ave N Shift Values>> N :: 119.95(4.79) 1.D40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.22 K 0.2 R 0.15 D 0.11 C 0.1 F 0.09 Y 0.07 N 0.01 C Shift Assignments>> CA :: 56.256 CB :: 42.159 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 7.874 HA :: 4.973 HB2 :: 3.349 HB3 :: 2.649 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 119.322 Ave N Shift Values>> N :: 120.73(4.2) 1.D41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.24 R 0.21 K 0.16 C 0.1 D 0.09 F 0.08 Y 0.05 G 0.01 C Shift Assignments>> CA :: 56.153 CB :: 42.613 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.736 HA :: 5.204 HB2 :: 2.583 HB3 :: 3.054 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 120.665 Ave N Shift Values>> N :: 120.73(4.2) 1.W42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 W 0.45 H 0.05 C Shift Assignments>> CA :: 56.738 CB :: 31.376 CD1 :: 128.786 CE3 :: 119.012 CZ2 :: 114.588 CZ3 :: 121.730 CH2 :: 123.612 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 9.211 HA :: 5.402 HB2 :: 2.846 HB3 :: 2.713 HD1 :: 7.420 HE1 :: 10.001 HE3 :: 7.028 HZ2 :: 7.287 HZ3 :: 6.557 HH2 :: 6.778 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 120.295 NE1 :: 130.833 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.Y43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.31 R 0.24 C 0.11 D 0.1 G 0.07 K 0.06 F 0.04 Y 0.02 C Shift Assignments>> CA :: 54.706 CB :: 43.418 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 9.187 HA :: 5.724 HB2 :: 2.962 HB3 :: 2.683 HD1 :: 7.020 HD2 :: 7.020 HE1 :: 6.851 HE2 :: 6.851 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 116.363 Ave N Shift Values>> N :: 120.79(4.69) 1.H44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 W 0.35 H 0.29 C Shift Assignments>> CA :: 58.476 CB :: 31.256 CD2 :: 119.379 CE1 :: 139.470 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 9.252 HA :: 5.046 HB2 :: 4.406 HB3 :: 3.771 HD2 :: 7.570 HE1 :: 7.521 HE2 :: 10.577 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 120.765 ND1 :: 164.391 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.W45 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.99 HN Overlap>> 1.K71 1.K71 C Shift Assignments>> CA :: 61.077 CB :: 25.480 CD1 :: 120.913 CE3 :: 121.764 CZ2 :: 112.254 CZ3 :: 121.635 CH2 :: 125.900 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 8.283 HA :: 4.421 HB2 :: 3.819 HB3 :: 3.186 HD1 :: 6.453 HE1 :: 8.001(S) HE3 :: 7.303 HZ2 :: 7.168 HZ3 :: 7.008 HH2 :: 7.245 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 122.268 NE1 :: 121.998 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.P46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.7 C 0.29 C Shift Assignments>> CA :: 65.799 CB :: 30.719 CG :: 28.395 CD :: 50.999 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.534 HB2 :: 2.081 HB3 :: 2.467 HG2 :: 2.143 HG3 :: 2.220 HD2 :: 4.252 HD3 :: 4.028 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.C47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.45 P 0.16 C 0.12 V 0.1 W 0.07 E 0.02 R 0.01 K 0.01 H 0.01 C Shift Assignments>> CA :: 62.965 CB :: 29.062 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.303 HA :: 4.283 HB2 :: 3.623 HB3 :: 3.281 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 117.589 Ave N Shift Values>> N :: 119.95(4.79) 1.V48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.8 V 0.18 C Shift Assignments>> CA :: 60.135 CB :: 31.672 CG1 :: 23.843 CG2 :: 18.168 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.589 HA :: 4.730 HB :: 2.762 HG11 :: 0.719 HG12 :: 0.719 HG13 :: 0.719 HG21 :: 0.721 HG22 :: 0.721 HG23 :: 0.721 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 108.649 Ave N Shift Values>> N :: 121.02(4.96) 1.G49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.75 C 0.18 L 0.04 C Shift Assignments>> CA :: 47.008 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.504 HA2 :: 3.998 HA3 :: 3.856 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.886 Ave N Shift Values>> N :: 109.91(4.29) 1.I50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.5 C 0.49 C Shift Assignments>> CA :: 59.671 CB :: 37.790 CG1 :: 26.560 CG2 :: 16.298 CD1 :: 11.016 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.803 HA :: 4.095 HB :: 1.359 HG12 :: 0.957 HG13 :: 0.768 HG21 :: -0.136 HG22 :: -0.136 HG23 :: -0.136 HD11 :: 0.131 HD12 :: 0.131 HD13 :: 0.131 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 120.019 Ave N Shift Values>> N :: 121.6(4.72) 1.M51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.41 C 0.33 Q 0.15 E 0.06 K 0.02 C Shift Assignments>> CA :: 54.754 CB :: 33.662 CG :: 32.262 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 8.755 HA :: 4.715 HB2 :: 2.199 HB3 :: 1.916 HG2 :: 2.479 HG3 :: 2.634 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 123.503 Ave N Shift Values>> N :: 120.1(3.88) 1.A52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.7 M 0.1 L 0.09 C 0.08 C Shift Assignments>> CA :: 50.607 CB :: 21.427 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.262 HA :: 4.371 HB1 :: 1.252 HB2 :: 1.252 HB3 :: 1.252 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.425 Ave N Shift Values>> N :: 123.23(3.7) 1.A53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.83 M 0.15 C 0.01 C Shift Assignments>> CA :: 50.709 CB :: 17.455 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.562 HA :: 3.522 HB1 :: 1.368 HB2 :: 1.368 HB3 :: 1.368 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.289 Ave N Shift Values>> N :: 123.23(3.7) 1.P54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.55 C 0.44 C Shift Assignments>> CA :: 61.157 CB :: 30.282 CG :: 27.127 CD :: 49.895 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.622 HB2 :: 1.603 HB3 :: 2.457 HG2 :: 1.526 HG3 :: 1.639 HD2 :: 3.068 HD3 :: 3.168 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.P55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.83 C 0.16 C Shift Assignments>> CA :: 63.536 CB :: 32.123 CG :: 28.081 CD :: 50.455 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.403 HB2 :: 1.787 HB3 :: 2.493 HG2 :: 2.052 HG3 :: 2.136 HD2 :: 3.838 HD3 :: 3.585 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.E56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.31 I 0.27 K 0.03 M 0.02 Q 0.01 C Shift Assignments>> CA :: 60.127 CB :: 29.892 CG :: 36.588 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.845 HA :: 3.967 HB2 :: 2.101 HB3 :: 2.062 HG2 :: 2.425 HG3 :: 2.386 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 124.405 Ave N Shift Values>> N :: 120.68(3.68) 1.E57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 E 0.32 K 0.14 I 0.08 Q 0.07 M 0.02 C Shift Assignments>> CA :: 57.285 CB :: 28.748 CG :: 36.051 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 9.241 HA :: 4.245 HB2 :: 2.041 HB3 :: 2.133 HG2 :: 2.338 HG3 :: 2.233 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 115.138 Ave N Shift Values>> N :: 120.68(3.68) 1.M58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.33 C 0.31 Q 0.16 E 0.14 K 0.03 C Shift Assignments>> CA :: 55.462 CB :: 34.392 CG :: 31.946 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 7.633 HA :: 4.439 HB2 :: 2.009 HB3 :: 2.110 HG2 :: 2.685 HG3 :: 2.685 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 121.244 Ave N Shift Values>> N :: 120.1(3.88) 1.Q59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.32 E 0.26 M 0.25 Q 0.1 K 0.04 I 0.01 C Shift Assignments>> CA :: 56.224 CB :: 31.529 CG :: 35.323 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.635 HA :: 4.378 HB2 :: 1.908 HB3 :: 1.722 HG2 :: 2.432 HG3 :: 2.231 HE21 :: 6.994 HE22 :: 7.660 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 125.641 NE2 :: 112.467 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.W60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.5 C 0.48 C Shift Assignments>> CA :: 59.309 CB :: 31.758 CD1 :: 126.094 CE3 :: 122.189 CZ2 :: 113.609 CZ3 :: 120.058 CH2 :: 122.576 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 8.831 HA :: 4.363 HB2 :: 2.577 HB3 :: 3.180 HD1 :: 7.138 HE1 :: 10.010 HE3 :: 7.213 HZ2 :: 6.942 HZ3 :: 6.572 HH2 :: 6.177 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 123.177 NE1 :: 128.884 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.F61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.4 Y 0.36 C 0.22 C Shift Assignments>> CA :: 54.405 CB :: 41.554 CD1 :: 132.002 CE1 :: 131.122 CZ :: 129.618 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 6.678 HA :: 5.253 HB2 :: 2.547 HB3 :: 2.222 HD1 :: 7.023 HD2 :: 7.023 HE1 :: 7.072 HE2 :: 7.072 HZ :: 7.147 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 123.023 Ave N Shift Values>> N :: 120.69(4.18) 1.C62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.14 E 0.14 W 0.13 R 0.13 Q 0.12 C 0.11 K 0.09 M 0.06 I 0.02 V 0.01 C Shift Assignments>> CA :: 56.862 CB :: 30.054 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 9.316 HA :: 3.678 HB2 :: 3.166 HB3 :: 2.505 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 126.265 Ave N Shift Values>> N :: 119.95(4.79) 1.P63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.88 C 0.1 C Shift Assignments>> CA :: 65.685 CB :: 32.121 CG :: 27.902 CD :: 49.557 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.121 HB2 :: 1.912 HB3 :: 2.402 HG2 :: 1.993 HG3 :: 2.112 HD2 :: 3.319 HD3 :: 3.319 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.K64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.39 C 0.37 R 0.2 M 0.01 G 0.01 C Shift Assignments>> CA :: 59.319 CB :: 32.890 CG :: 25.207 CD :: 29.295 CE :: 42.363 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.974 HA :: 4.196 HB2 :: 1.983 HB3 :: 2.026 HG2 :: 1.438 HG3 :: 1.630 HD2 :: 1.884 HD3 :: 1.800 HE2 :: 3.099 HE3 :: 3.099 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 117.227 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.C65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.32 I 0.27 V 0.23 C 0.09 W 0.04 R 0.01 C Shift Assignments>> CA :: 63.786 CB :: 30.060 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.485 HA :: 3.934 HB2 :: 3.031 HB3 :: 2.835 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 125.213 Ave N Shift Values>> N :: 119.95(4.79) 1.A66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.48 M 0.46 C 0.02 I 0.02 C Shift Assignments>> CA :: 54.454 CB :: 18.212 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.986 HA :: 3.789 HB1 :: 1.192 HB2 :: 1.192 HB3 :: 1.192 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.721 Ave N Shift Values>> N :: 123.23(3.7) 1.N67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.33 D 0.19 C 0.17 Y 0.11 F 0.09 L 0.04 E 0.01 C Shift Assignments>> CA :: 54.089 CB :: 38.909 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 7.519 HA :: 4.605 HB2 :: 2.746 HB3 :: 2.839 HD21 :: 7.685 HD22 :: 6.941 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 114.095 ND2 :: 113.490 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.K68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.38 C 0.37 R 0.19 M 0.03 C Shift Assignments>> CA :: 57.788 CB :: 32.826 CG :: 25.018 CD :: 29.539 CE :: 42.073 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.432 HA :: 4.121 HB2 :: 1.770 HB3 :: 1.831 HG2 :: 1.502 HG3 :: 1.380 HD2 :: 1.680 HD3 :: 1.680 HE2 :: 2.943 HE3 :: 2.943 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 119.975 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.I69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.74 C 0.25 C Shift Assignments>> CA :: 61.939 CB :: 38.220 CG1 :: 27.691 CG2 :: 17.379 CD1 :: 12.633 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.815 HA :: 3.937 HB :: 1.747 HG12 :: 1.366 HG13 :: 1.038 HG21 :: 0.785 HG22 :: 0.785 HG23 :: 0.785 HD11 :: 0.571 HD12 :: 0.571 HD13 :: 0.571 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 120.156 Ave N Shift Values>> N :: 121.6(4.72) 1.K70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.17 M 0.17 C 0.17 Q 0.11 R 0.09 W 0.08 H 0.08 E 0.06 V 0.02 C Shift Assignments>> CA :: 56.573 CB :: 32.658 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.082 HA :: 4.246 HB2 :: 1.769 HB3 :: 1.817 HG2 :: 1.396 HG3 :: 1.396 HD2 :: 1.657 HD3 :: 1.657 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 124.303 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.K71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.25 C 0.24 Q 0.23 R 0.11 M 0.09 E 0.05 HN Overlap>> 1.W45 1.R11 1.W45 1.R11 C Shift Assignments>> CA :: 56.642 CB :: 32.898 CD :: 29.105 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.231 HA :: 4.259 HB2 :: 1.758 HB3 :: 1.830 HG2 :: 1.413 HG3 :: 1.428 HD2 :: 1.651 HD3 :: 1.651 HE2 :: 2.946 HE3 :: 2.946 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 122.199 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.D72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.26 L 0.2 K 0.14 C 0.1 F 0.08 N 0.08 Y 0.07 R 0.04 C Shift Assignments>> CA :: 54.474 CB :: 41.286 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.324 HA :: 4.580 HB2 :: 2.631 HB3 :: 2.696 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 121.108 Ave N Shift Values>> N :: 120.73(4.2) 1.K73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.18 K 0.18 C 0.17 Q 0.14 R 0.08 W 0.07 H 0.07 E 0.05 V 0.02 C Shift Assignments>> CA :: 56.301 CB :: 32.889 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.172 HA :: 4.301 HB2 :: 1.749 HB3 :: 1.839 HG2 :: 1.420 HG3 :: 1.420 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 121.367 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.K74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.18 K 0.18 C 0.17 Q 0.14 R 0.08 W 0.07 H 0.07 E 0.05 V 0.02 C Shift Assignments>> CA :: 56.487 CB :: 32.904 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.353 HA :: 4.269 HB2 :: 1.757 HB3 :: 1.827 HG2 :: 1.426 HG3 :: 1.426 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 122.924 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.H75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.34 H 0.34 C 0.3 C Shift Assignments>> CA :: 57.306 CB :: 30.681 CD2 :: 120.069 CE1 :: 136.973 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 8.013 HA :: 4.457 HB2 :: 3.066 HB3 :: 3.220 HD2 :: 7.148 HE1 :: 8.259 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 125.131 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 2.ZN1 Overall Status: Residue type ZN not supported. 3.M3L4 Overall Status: Residue type M3L not supported. 3.A1 Overall: Suspicious Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Suspicious N Shifts: Indeterminable H Shift Assignments>> H :: 10.497(S) HA :: 4.337 HB1 :: 1.481 HB2 :: 1.481 HB3 :: 1.481 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) 3.R2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 8.465 HA :: 4.724 HB2 :: 1.794 HB3 :: 1.764 HG2 :: 1.836 HG3 :: 1.836 HD2 :: 3.332 HD3 :: 3.332 HE :: 6.944 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) 3.T3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 8.441 HA :: 5.763 HB :: 4.701 HG21 :: 1.239 HG22 :: 1.239 HG23 :: 1.239 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) 3.Q5 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 8.271 HA :: 4.187 HB2 :: 1.984 HB3 :: 1.834 HG2 :: 2.091 HG3 :: 2.091 HE21 :: 6.924 HE22 :: 7.531 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) 3.T6 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 9.051 HA :: 4.198 HB :: 4.128 HG21 :: 1.179 HG22 :: 1.179 HG23 :: 1.179 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) 3.A7 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 8.480 HA :: 4.316 HB1 :: 1.370 HB2 :: 1.370 HB3 :: 1.370 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) 3.R8 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 8.364 HA :: 4.314 HB2 :: 1.745 HB3 :: 1.837 HG2 :: 1.634 HG3 :: 1.634 HD2 :: 3.190 HD3 :: 3.190 HE :: 7.207 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) 3.K9 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 8.484 HA :: 4.352 HB2 :: 1.739 HB3 :: 1.845 HG2 :: 1.447 HG3 :: 1.447 HD2 :: 1.689 HD3 :: 1.689 HE2 :: 2.988 HE3 :: 2.988 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) 3.S10 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 8.526 HA :: 4.541 HB2 :: 3.877 HB3 :: 3.938 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) 3.T11 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 8.323 HA :: 4.410 HB :: 4.324 HG21 :: 1.232 HG22 :: 1.232 HG23 :: 1.232 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) 3.G12 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 8.489 HA2 :: 4.035 HA3 :: 4.000 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) 3.G13 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 8.369 HA2 :: 3.939 HA3 :: 3.939 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) ########################################################################### Overall Results: #Consistent: 78 #Clerical: 0 #Suspicious: 6 #Anomalous: 2 #Mistyped: 1 #Indeterminable: 0 Typing Results: #Consistent: 74 #Suspicious: 0 #Mistyped: 1 #Indeterminable: 12 Shift Relative Order (SRO) Results: #Consistent: 87 #Suspicious: 0 C Shift Results: #Consistent: 235 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 1 H Shift Results: #Consistent: 543 #Duplicate: 0 #Unknown: 0 #Suspicious: 13 #Anomalous: 2 N Shift Results: #Consistent: 76 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.E13 HG2 = 1.253(S), Expected = 2.31, Std = 0.2100, ChiSquare = 4.8202e-07 1.E13 HG3 = 1.253(S), Expected = 2.31, Std = 0.2100, ChiSquare = 4.8202e-07 1.P22 HD2 = 1.518(S), Expected = 3.64, Std = 0.3600, ChiSquare = 3.7594e-09 1.P32 HB2 = 0.295(S), Expected = 2.05, Std = 0.3900, ChiSquare = 6.7953e-06 1.P32 HB3 = -0.158(A), Expected = 2.05, Std = 0.3900, ChiSquare = 1.5002e-08 1.M33 Typing: Mistyped 1.M33 CB = 42.358(A), Expected = 32.90, Std = 2.2300, ChiSquare = 2.2227e-05 1.I34 HG21 = -0.274(S), Expected = 0.80, Std = 0.2900, ChiSquare = 2.1269e-04 1.I34 HG22 = -0.274(S), Expected = 0.80, Std = 0.2900, ChiSquare = 2.1269e-04 1.I34 HG23 = -0.274(S), Expected = 0.80, Std = 0.2900, ChiSquare = 2.1269e-04 1.I34 HD11 = -0.399(S), Expected = 0.70, Std = 0.3000, ChiSquare = 2.4895e-04 1.I34 HD12 = -0.399(S), Expected = 0.70, Std = 0.3000, ChiSquare = 2.4895e-04 1.I34 HD13 = -0.399(S), Expected = 0.70, Std = 0.3000, ChiSquare = 2.4895e-04 1.G35 HA3 = 1.044(A), Expected = 3.93, Std = 0.4000, ChiSquare = 5.3934e-13 1.D38 HB3 = 3.795(S), Expected = 2.70, Std = 0.2900, ChiSquare = 1.5946e-04 1.W45 HE1 = 8.001(S), Expected = 10.13, Std = 0.5300, ChiSquare = 5.8948e-05 3.A1 H = 10.497(S), Expected = 8.20, Std = 0.6000, ChiSquare = 1.2901e-04