Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.S1 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> CA :: 58.568 CB :: 63.490 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> HA :: 4.109(D) HB2 :: 3.533 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) 1.K2 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Consistent PRTL>> K 0.46 C 0.35 R 0.17 C Shift Assignments>> CA :: 55.833 CB :: 32.590 CG :: 24.660 CD :: 28.762 CE :: 42.161 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 :: 8.100 HA :: 4.135(D) HB2 :: 1.566 HB3 :: 1.712 HG2 :: 1.234 HG3 :: 1.285 HD2 :: 1.539 HE2 :: 2.861 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 :: 122.730 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.65 C 0.23 A 0.06 R 0.02 G 0.01 C Shift Assignments>> CA :: 54.193 CB :: 42.161 CG :: 26.301 CD1 :: 23.020 CD2 :: 25.481 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 :: 7.658 HA :: 4.478 HB2 :: 1.257 HB3 :: 0.825 HG :: 1.189 HD11 :: 0.469 HD12 :: 0.469 HD13 :: 0.469 HD21 :: 0.160 HD22 :: 0.160 HD23 :: 0.160 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 123.170 Ave N Shift Values>> N :: 121.86(3.9) 1.T4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.73 C 0.26 C Shift Assignments>> CA :: 59.935 CB :: 71.967 CG2 :: 20.832 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 :: 7.723 HA :: 4.410 HB :: 3.897 HG21 :: 1.097 HG22 :: 1.097 HG23 :: 1.097 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 114.152 Ave N Shift Values>> N :: 115.42(4.75) 1.E5 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Consistent PRTL>> C 0.36 E 0.35 I 0.18 K 0.06 Q 0.02 C Shift Assignments>> CA :: 58.568 CB :: 29.036 CG :: 36.692 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 :: 8.643(D) HA :: 3.423(D) HB2 :: 1.819 HB3 :: 1.856 HG2 :: 2.139 HG3 :: 2.288 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 122.290 Ave N Shift Values>> N :: 120.67(3.48) 1.G6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.64 L 0.18 R 0.06 C 0.04 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> CA :: 44.759 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.032 HA2 :: 4.279 HA3 :: 3.292 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.612 Ave N Shift Values>> N :: 109.67(3.87) 1.Q7 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Consistent PRTL>> Q 0.3 C 0.24 K 0.19 M 0.15 E 0.09 HN Overlap>> 1.Q31 1.Q31 C Shift Assignments>> CA :: 55.833 CB :: 30.129 CG :: 33.958 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 :: 7.341(D) HA :: 4.221(D) HB2 :: 2.026(D) HB3 :: 2.119(D) HG2 :: 2.384(D) HG3 :: 2.326(D) HE21 :: 7.437 HE22 :: 6.651 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 :: 119.431 NE2 :: 110.632 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Y8 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Consistent PRTL>> Y 0.64 C 0.35 C Shift Assignments>> CA :: 58.021 CB :: 39.153 CD1 :: 133.219 CE1 :: 118.179 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 :: 8.742 HA :: 5.263 HB2 :: 2.702 HB3 :: 2.837(D) HD1 :: 7.058 HE1 :: 6.776 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 :: 122.510 Ave N Shift Values>> N :: 120.52(4.2) 1.V9 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Consistent PRTL>> C 0.89 I 0.08 A 0.01 C Shift Assignments>> CA :: 58.841 CB :: 36.419 CG1 :: 18.098 CG2 :: 23.567 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.179(D) HA :: 4.726(D) HB :: 2.118 HG11 :: 0.484 HG12 :: 0.484 HG13 :: 0.484 HG21 :: 0.693 HG22 :: 0.693 HG23 :: 0.693 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 :: 114.812 Ave N Shift Values>> N :: 121.14(4.54) 1.L10 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Consistent PRTL>> L 0.54 G 0.22 C 0.16 A 0.05 R 0.01 C Shift Assignments>> CA :: 53.646 CB :: 44.075 CG :: 26.898 CD1 :: 24.660 CD2 :: 23.020 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 :: 8.767(D) HA :: 4.930(D) HB2 :: 1.557(D) HB3 :: 1.245(D) HG :: 1.357 HD11 :: 0.493 HD12 :: 0.493 HD13 :: 0.493 HD21 :: 0.419 HD22 :: 0.419 HD23 :: 0.419 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 :: 121.630 Ave N Shift Values>> N :: 121.86(3.9) 1.C11 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Consistent PRTL>> R 0.15 H 0.14 W 0.14 E 0.14 C 0.13 Q 0.1 M 0.07 K 0.07 V 0.01 C Shift Assignments>> CA :: 57.201 CB :: 30.676 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 9.296(D) HA :: 5.452(D) HB2 :: 3.296(D) HB3 :: 2.931(D) Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 120.970 Ave N Shift Values>> N :: 120.17(4.64) 1.R12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.49 C 0.38 G 0.05 K 0.04 HN Overlap>> 1.L46 1.L46 C Shift Assignments>> CA :: 56.380 CB :: 30.129 CG :: 27.121 CD :: 43.255 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 9.444 HA :: 3.844 HB2 :: 1.699 HB3 :: 1.290 HG2 :: 0.698 HG3 :: 1.446 HD2 :: 3.017 HD3 :: 3.049 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 :: 128.669 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.W13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.51 C 0.46 H 0.01 C Shift Assignments>> CA :: 54.193 CB :: 31.770 CE3 :: 120.094 CZ2 :: 114.625 CZ3 :: 122.555 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 :: 9.057 HA :: 5.100 HB2 :: 3.041 HB3 :: 3.983 HD1 :: 6.769 HE3 :: 7.324 HZ2 :: 6.885 HZ3 :: 6.652 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 :: 129.989 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.T14 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> T 0.9 C 0.09 C Shift Assignments>> CA :: 63.490 CB :: 67.592 CG2 :: 21.652 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 :: 6.112(S) HA :: 3.710 HB :: 3.880 HG21 :: 0.641 HG22 :: 0.641 HG23 :: 0.641 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 114.592 Ave N Shift Values>> N :: 115.42(4.75) 1.D15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.35 D 0.31 L 0.11 F 0.07 C 0.06 Y 0.06 C Shift Assignments>> CA :: 53.099 CB :: 39.973 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 :: 7.618 HA :: 4.441 HB2 :: 2.658 HB3 :: 3.067 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 :: 118.991 Ave N Shift Values>> N :: 120.65(3.86) 1.G16 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 :: 45.169 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.179 HA2 :: 4.135 HA3 :: 3.467 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.433 Ave N Shift Values>> N :: 109.67(3.87) 1.L17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.66 C 0.17 A 0.14 R 0.01 C Shift Assignments>> CA :: 53.099 CB :: 41.614 CG :: 27.121 CD1 :: 25.207 CD2 :: 22.473 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.177 HA :: 4.543 HB2 :: 1.959 HB3 :: 1.120 HG :: 1.350 HD11 :: 0.780 HD12 :: 0.780 HD13 :: 0.780 HD21 :: 0.796 HD22 :: 0.796 HD23 :: 0.796 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 :: 122.510 Ave N Shift Values>> N :: 121.86(3.9) 1.Y18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.72 C 0.27 C Shift Assignments>> CA :: 56.927 CB :: 40.794 CD1 :: 132.946 CE1 :: 118.179 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 :: 8.393 HA :: 5.283 HB2 :: 2.888 HB3 :: 2.482 HD1 :: 6.936 HE1 :: 6.734 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 116.571 Ave N Shift Values>> N :: 120.52(4.2) 1.Y19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.48 C 0.43 G 0.07 C Shift Assignments>> CA :: 57.471 CB :: 42.620 CD1 :: 133.492 CE1 :: 119.820 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 :: 8.920 HA :: 5.062 HB2 :: 2.953 HB3 :: 2.948 HD1 :: 6.780 HE1 :: 6.973 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 :: 118.111 Ave N Shift Values>> N :: 120.52(4.2) 1.L20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.53 C 0.24 R 0.11 G 0.09 C Shift Assignments>> CA :: 55.286 CB :: 43.528 CG :: 27.121 CD1 :: 25.754 CD2 :: 24.114 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.523 HA :: 4.904 HB2 :: 1.878 HB3 :: 1.351 HG :: 1.546 HD11 :: 0.753 HD12 :: 0.753 HD13 :: 0.753 HD21 :: 0.783 HD22 :: 0.783 HD23 :: 0.783 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 126.909 Ave N Shift Values>> N :: 121.86(3.9) 1.G21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.58 L 0.21 R 0.09 C 0.04 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> CA :: 44.622 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.487 HA2 :: 4.611 HA3 :: 2.902 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 115.471 Ave N Shift Values>> N :: 109.67(3.87) 1.K22 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.5 C 0.45 R 0.02 A 0.01 C Shift Assignments>> CA :: 53.646 CB :: 35.572 CG :: 24.387 CD :: 29.309 CE :: 41.341 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 :: 8.311 HA :: 4.652 HB2 :: 1.271 HB3 :: 1.039 HG2 :: 0.600 HG3 :: 0.381(S) HD2 :: 1.271 HD3 :: 1.282 HE2 :: 2.606 HE3 :: 2.612 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 :: 120.531 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.81 C 0.18 C Shift Assignments>> CA :: 64.037 CB :: 37.512 CG1 :: 28.489 CG2 :: 18.371 CD1 :: 14.816 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 :: 8.748 HA :: 3.576 HB :: 1.956 HG12 :: 1.728 HG13 :: 0.672 HG21 :: 0.562 HG22 :: 0.562 HG23 :: 0.562 HD11 :: 0.829 HD12 :: 0.829 HD13 :: 0.829 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 :: 125.810 Ave N Shift Values>> N :: 121.46(4.28) 1.K24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.44 C 0.4 R 0.14 C Shift Assignments>> CA :: 56.107 CB :: 33.137 CG :: 24.660 CD :: 27.668 CE :: 41.614 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 :: 9.729 HA :: 4.387 HB2 :: 1.488 HB3 :: 1.487 HG2 :: 1.262 HD2 :: 1.402 HD3 :: 1.488 HE2 :: 2.905 HE3 :: 2.905 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 :: 131.969 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.R25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 R 0.22 G 0.11 K 0.1 C Shift Assignments>> CA :: 55.013 CB :: 34.778 CG :: 27.121 CD :: 43.255 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 :: 7.382 HA :: 4.652 HB2 :: 1.615 HB3 :: 1.699 HG2 :: 1.574 HG3 :: 1.615 HD2 :: 3.252 HD3 :: 3.335 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 115.252 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.V26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.66 C 0.33 C Shift Assignments>> CA :: 62.396 CB :: 33.958 CG1 :: 21.106 CG2 :: 22.199 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.550 HA :: 4.485 HB :: 2.204 HG11 :: 0.851 HG12 :: 0.851 HG13 :: 0.851 HG21 :: 1.197 HG22 :: 1.197 HG23 :: 1.197 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 :: 126.250 Ave N Shift Values>> N :: 121.14(4.54) 1.S27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 55.560 CB :: 63.490 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.987 HA :: 5.110 HB2 :: 3.781 HB3 :: 3.697 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 :: 120.751 Ave N Shift Values>> N :: 116.28(3.52) 1.S28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> CA :: 61.302 CB :: 62.123 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> HA :: 4.547 HB2 :: 4.099 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) 1.S29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> CA :: 60.755 CB :: 62.123 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> HA :: 4.117 HB2 :: 3.765 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) 1.K30 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.5 C 0.38 R 0.1 C Shift Assignments>> CA :: 55.560 CB :: 32.317 CG :: 24.660 CD :: 28.215 CE :: 41.341 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 :: 7.306 HA :: 4.586 HB2 :: 1.139 HB3 :: 1.523 HG2 :: 1.064 HG3 :: 1.003 HD2 :: 0.875(S) HE2 :: 2.253(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 :: 117.891 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Q31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.23 C 0.21 M 0.17 K 0.13 V 0.13 R 0.02 P 0.01 H 0.01 E 0.01 W 0.01 HN Overlap>> 1.Q7 1.Q7 C Shift Assignments>> CG :: 33.958 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 :: 7.335 HA :: 3.778 HB2 :: 1.791 HB3 :: 1.394 HG2 :: 1.791 HG3 :: 1.869 HE21 :: 7.469 HE22 :: 6.736 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 :: 119.431 NE2 :: 112.612 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.S32 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.97 S 0.02 C Shift Assignments>> CA :: 57.474 CB :: 68.683(S) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.417 HA :: 5.314 HB2 :: 3.740 HB3 :: 3.462 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 :: 109.533 Ave N Shift Values>> N :: 116.28(3.52) 1.C33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.16 C 0.16 K 0.16 R 0.13 H 0.11 W 0.1 E 0.08 Q 0.05 V 0.02 C Shift Assignments>> CA :: 56.927 CB :: 32.043 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 9.810 HA :: 5.378 HB2 :: 2.896 HB3 :: 2.494 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 :: 119.431 Ave N Shift Values>> N :: 120.17(4.64) 1.L34 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> A 0.66 C 0.21 L 0.1 C Shift Assignments>> CA :: 53.646 CB :: 41.067 CG :: 26.301 CD1 :: 20.559 CD2 :: 25.481 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 :: 8.583 HA :: 3.766 HB2 :: 0.925 HB3 :: -1.136(S) HG :: 0.591 HD11 :: -0.321(S) HD12 :: -0.321(S) HD13 :: -0.321(S) HD21 :: 0.390 HD22 :: 0.390 HD23 :: 0.390 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 129.769 Ave N Shift Values>> N :: 121.86(3.9) 1.V35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.52 C 0.47 C Shift Assignments>> CA :: 60.755 CB :: 34.778 CG1 :: 21.379 CG2 :: 21.106 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 :: 8.852 HA :: 4.335 HB :: 1.632 HG11 :: 0.003 HG12 :: 0.003 HG13 :: 0.003 HG21 :: 0.596 HG22 :: 0.596 HG23 :: 0.596 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 :: 130.209 Ave N Shift Values>> N :: 121.14(4.54) 1.T36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.81 C 0.18 C Shift Assignments>> CA :: 59.662 CB :: 69.779 CG2 :: 21.652 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 :: 8.391 HA :: 5.086 HB :: 3.800 HG21 :: 1.157 HG22 :: 1.157 HG23 :: 1.157 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 :: 118.771 Ave N Shift Values>> N :: 115.42(4.75) 1.F37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.43 Y 0.34 C 0.21 C Shift Assignments>> CA :: 58.294 CB :: 39.700 CD1 :: 132.399 CE1 :: 130.758 CZ :: 129.117 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 :: 9.014 HA :: 4.940 HB2 :: 3.427 HB3 :: 2.960 HD1 :: 7.295 HE1 :: 7.060 HZ :: 6.986 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 126.470 Ave N Shift Values>> N :: 120.45(4.18) 1.E38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 E 0.24 I 0.18 M 0.02 C Shift Assignments>> CA :: 59.935 CB :: 30.676 CG :: 37.512 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 :: 9.805 HA :: 4.096 HB2 :: 2.103 HB3 :: 2.216 HG2 :: 2.341 HG3 :: 2.544 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 :: 120.531 Ave N Shift Values>> N :: 120.67(3.48) 1.D39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.42 D 0.27 L 0.08 C 0.06 F 0.06 Y 0.05 C Shift Assignments>> CA :: 52.825 CB :: 39.700 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 :: 7.961 HA :: 4.452 HB2 :: 3.021 HB3 :: 2.342 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 :: 115.471 Ave N Shift Values>> N :: 120.65(3.86) 1.N40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.26 C 0.19 Y 0.14 E 0.12 F 0.11 M 0.05 D 0.05 I 0.01 L 0.01 C Shift Assignments>> CA :: 55.013 CB :: 37.512 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 :: 8.415 HA :: 4.259 HB2 :: 3.019 HD21 :: 7.551 HD22 :: 6.850 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 :: 113.712 ND2 :: 113.272 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.S41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 59.662 CB :: 63.832 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.016 HA :: 5.088 HB2 :: 3.800 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 117.451 Ave N Shift Values>> N :: 116.28(3.52) 1.K42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.5 C 0.45 R 0.01 A 0.01 C Shift Assignments>> CA :: 54.740 CB :: 35.051 CG :: 23.931 CD :: 29.582 CE :: 41.614 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 :: 7.851 HA :: 5.664 HB2 :: 1.309 HG2 :: 1.235 HG3 :: 1.322 HD2 :: 1.444 HD3 :: 1.319 HE2 :: 2.832 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 118.771 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Y43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.56 Y 0.43 C Shift Assignments>> CB :: 43.802 CD1 :: 133.492 CE1 :: 118.179 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 :: 8.510 HB2 :: 3.427 HB3 :: 2.658 HD1 :: 7.155 HE1 :: 6.804 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 :: 119.211 Ave N Shift Values>> N :: 120.52(4.2) 1.W44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.54 C 0.45 C Shift Assignments>> CA :: 57.474 CB :: 28.762 CD1 :: 127.750 CE3 :: 120.640 CZ2 :: 114.898 CZ3 :: 121.734 CH2 :: 123.375 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 :: 9.125 HA :: 5.068 HB2 :: 3.009 HB3 :: 3.122 HD1 :: 7.335 HE1 :: 10.288 HE3 :: 7.217 HZ2 :: 7.456 HZ3 :: 6.578 HH2 :: 6.927 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 :: 123.830 NE1 :: 130.426 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.V45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 V 0.47 C Shift Assignments>> CA :: 61.029 CB :: 35.598 CG1 :: 21.106 CG2 :: 21.598 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.780 HA :: 4.427 HB :: 2.020 HG11 :: 1.208 HG12 :: 1.208 HG13 :: 1.208 HG21 :: 1.264 HG22 :: 1.264 HG23 :: 1.264 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 :: 127.129 Ave N Shift Values>> N :: 121.14(4.54) 1.L46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.43 C 0.33 R 0.15 A 0.05 G 0.02 HN Overlap>> 1.R12 1.R12 C Shift Assignments>> CA :: 55.560 CB :: 42.434 CG :: 27.121 CD1 :: 22.473 CD2 :: 26.028 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.358 HA :: 4.585 HB2 :: 1.803 HG :: 1.874 HD11 :: 0.879 HD12 :: 0.879 HD13 :: 0.879 HD21 :: 0.949 HD22 :: 0.949 HD23 :: 0.949 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 :: 128.669 Ave N Shift Values>> N :: 121.86(3.9) 1.W47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.78 W 0.21 C Shift Assignments>> CA :: 58.294 CB :: 28.489 CD1 :: 122.555 CE3 :: 121.734 CZ2 :: 114.078 CZ3 :: 122.828 CH2 :: 125.836 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 :: 9.012 HA :: 4.477 HB2 :: 3.187 HB3 :: 3.268 HD1 :: 6.885 HE3 :: 7.581 HZ2 :: 7.101 HZ3 :: 7.206 HH2 :: 7.277 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 :: 122.290 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.K48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 K 0.42 R 0.09 C Shift Assignments>> CA :: 58.021 CB :: 31.497 CG :: 23.840 CD :: 29.039 CE :: 41.614 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 :: 8.083 HA :: 4.342 HB2 :: 1.856 HB3 :: 1.929 HG2 :: 1.354 HG3 :: 1.442 HD2 :: 1.632 HD3 :: 1.727 HE2 :: 2.988 HE3 :: 2.988 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 114.592 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.29 D 0.21 R 0.14 K 0.14 F 0.06 C 0.04 Y 0.04 N 0.02 G 0.01 C Shift Assignments>> CA :: 54.466 CB :: 42.434 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 :: 8.105 HA :: 5.047 HB2 :: 3.370 HB3 :: 2.854 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 :: 120.531 Ave N Shift Values>> N :: 120.65(3.86) 1.I50 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 :: 61.302 CB :: 39.973 CG1 :: 28.215 CG2 :: 17.824 CD1 :: 14.543 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 :: 7.673 HA :: 4.905 HB :: 1.889 HG12 :: 2.070 HG13 :: 1.053 HG21 :: 0.722 HG22 :: 0.722 HG23 :: 0.722 HD11 :: 0.823 HD12 :: 0.823 HD13 :: 0.823 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 :: 120.970 Ave N Shift Values>> N :: 121.46(4.28) 1.Q51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.5 C 0.26 Q 0.19 K 0.02 E 0.01 C Shift Assignments>> CA :: 53.919 CB :: 31.770 CG :: 33.411 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 :: 9.097 HA :: 4.633 HB2 :: 1.810 HB3 :: 2.012 HG2 :: 2.152 HG3 :: 2.196 HE21 :: 7.037 HE22 :: 6.518 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 126.030 NE2 :: 111.292 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.H52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.15 H 0.14 W 0.14 E 0.14 C 0.13 Q 0.1 M 0.07 K 0.07 V 0.01 C Shift Assignments>> CA :: 57.201 CB :: 30.676 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 :: 8.637 HA :: 4.452 HB2 :: 2.966 HB3 :: 3.027 HD2 :: 6.931 HE2 :: 7.595 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 :: 122.070 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.A53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.9 M 0.06 C 0.01 C Shift Assignments>> CA :: 52.005 CB :: 19.465 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.198 HA :: 4.290 HB1 :: 1.160 HB2 :: 1.160 HB3 :: 1.160 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.370 Ave N Shift Values>> N :: 123.23(3.54) 1.G54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.83 L 0.09 C 0.02 R 0.01 C Shift Assignments>> CA :: 45.282 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.297 HA2 :: 3.888 HA3 :: 3.888 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.653 Ave N Shift Values>> N :: 109.67(3.87) 1.V55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 V 0.41 M 0.04 C Shift Assignments>> CA :: 59.662 CB :: 32.590 CG2 :: 20.285 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 :: 7.898 HA :: 4.239 HB :: 1.952 HG11 :: 0.812 HG12 :: 0.812 HG13 :: 0.812 HG21 :: 0.851 HG22 :: 0.851 HG23 :: 0.851 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 :: 120.476 Ave N Shift Values>> N :: 121.14(4.54) 1.P56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.76 C 0.23 C Shift Assignments>> CA :: 63.490 CB :: 31.770 CG :: 27.395 CD :: 50.911 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 :: 4.239 HB2 :: 2.169 HG2 :: 1.845 HD2 :: 3.674 HD3 :: 3.477 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.G57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.7 L 0.16 R 0.04 C 0.03 F 0.01 D 0.01 C Shift Assignments>> CA :: 44.896 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.377 HA2 :: 3.903 HA3 :: 4.001 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.412 Ave N Shift Values>> N :: 109.67(3.87) 1.E58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 E 0.38 M 0.13 I 0.02 Q 0.01 K 0.01 C Shift Assignments>> CA :: 57.748 CB :: 31.223 CG :: 36.692 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 :: 7.782 HA :: 4.089 HB2 :: 2.010 HG2 :: 2.150 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 125.810 Ave N Shift Values>> N :: 120.67(3.48) 2.M3L6 Overall Status: Residue type M3L not supported. 2.A1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> HB1 :: 1.482 HB2 :: 1.482 HB3 :: 1.482 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) 2.T2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> HB :: 4.336 HG21 :: 1.199 HG22 :: 1.199 HG23 :: 1.199 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) 2.G3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.G4 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> HA2 :: 3.916 HA3 :: 4.016 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) 2.V5 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> HB :: 1.925 HG21 :: 0.853 HG22 :: 0.853 HG23 :: 0.853 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) 2.K7 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> HD2 :: 1.655 HD3 :: 1.655 HE2 :: 2.941 HE3 :: 2.941 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) 2.P8 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> HG2 :: 1.639 HG3 :: 1.918 HD2 :: 3.845 HD3 :: 3.631 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) 2.H9 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> HB2 :: 2.794 HB3 :: 2.729 HD2 :: 6.550 HE1 :: 7.526 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) 2.R10 Overall: Suspicious Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Suspicious N Shifts: Indeterminable H Shift Assignments>> HG2 :: 1.440 HG3 :: 1.440 HD2 :: 4.290(S) HD3 :: 4.290(S) 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) 2.Y11 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> HD1 :: 6.934 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) ########################################################################### Overall Results: #Consistent: 54 #Clerical: 8 #Suspicious: 6 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 58 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 10 Shift Relative Order (SRO) Results: #Consistent: 68 #Suspicious: 0 C Shift Results: #Consistent: 197 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 H Shift Results: #Consistent: 388 #Duplicate: 21 #Unknown: 0 #Suspicious: 10 #Anomalous: 0 N Shift Results: #Consistent: 59 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.S1 HA = 4.109(D), Expected = 4.48, Std = 0.4000, ChiSquare = 3.5367e-01 1.K2 HA = 4.135(D), Expected = 4.27, Std = 0.4400, ChiSquare = 7.5898e-01 1.E5 H = 8.643(D), Expected = 8.33, Std = 0.5900, ChiSquare = 5.9576e-01 1.E5 HA = 3.423(D), Expected = 4.25, Std = 0.4100, ChiSquare = 4.3688e-02 1.Q7 H = 7.341(D), Expected = 8.22, Std = 0.5900, ChiSquare = 1.3627e-01 1.Q7 HA = 4.221(D), Expected = 4.27, Std = 0.4400, ChiSquare = 9.1133e-01 1.Q7 HB2 = 2.026(D), Expected = 2.05, Std = 0.2500, ChiSquare = 9.2352e-01 1.Q7 HB3 = 2.119(D), Expected = 2.02, Std = 0.2800, ChiSquare = 7.2366e-01 1.Q7 HG2 = 2.384(D), Expected = 2.32, Std = 0.2700, ChiSquare = 8.1263e-01 1.Q7 HG3 = 2.326(D), Expected = 2.29, Std = 0.2900, ChiSquare = 9.0121e-01 1.Y8 HB3 = 2.837(D), Expected = 2.84, Std = 0.3900, ChiSquare = 9.9386e-01 1.V9 H = 9.179(D), Expected = 8.29, Std = 0.6700, ChiSquare = 1.8455e-01 1.V9 HA = 4.726(D), Expected = 4.19, Std = 0.5800, ChiSquare = 3.5541e-01 1.L10 H = 8.767(D), Expected = 8.23, Std = 0.6500, ChiSquare = 4.0872e-01 1.L10 HA = 4.930(D), Expected = 4.32, Std = 0.4700, ChiSquare = 1.9433e-01 1.L10 HB2 = 1.557(D), Expected = 1.61, Std = 0.3400, ChiSquare = 8.7613e-01 1.L10 HB3 = 1.245(D), Expected = 1.52, Std = 0.3600, ChiSquare = 4.4493e-01 1.C11 H = 9.296(D), Expected = 8.39, Std = 0.6700, ChiSquare = 1.7630e-01 1.C11 HA = 5.452(D), Expected = 4.66, Std = 0.5500, ChiSquare = 1.4987e-01 1.C11 HB2 = 3.296(D), Expected = 2.96, Std = 0.4400, ChiSquare = 4.4508e-01 1.C11 HB3 = 2.931(D), Expected = 2.89, Std = 0.4600, ChiSquare = 9.2898e-01 1.T14 H = 6.112(S), Expected = 8.24, Std = 0.6200, ChiSquare = 5.9858e-04 1.K22 HG3 = 0.381(S), Expected = 1.35, Std = 0.2800, ChiSquare = 5.3874e-04 1.K30 HD2 = 0.875(S), Expected = 1.61, Std = 0.2200, ChiSquare = 8.3505e-04 1.K30 HE2 = 2.253(S), Expected = 2.92, Std = 0.1900, ChiSquare = 4.4722e-04 1.S32 CB = 68.683(S), Expected = 63.80, Std = 1.4800, ChiSquare = 9.6918e-04 1.L34 HB3 = -1.136(S), Expected = 1.52, Std = 0.3600, ChiSquare = 1.6095e-13 1.L34 HD11 = -0.321(S), Expected = 0.75, Std = 0.2800, ChiSquare = 1.3077e-04 1.L34 HD12 = -0.321(S), Expected = 0.75, Std = 0.2800, ChiSquare = 1.3077e-04 1.L34 HD13 = -0.321(S), Expected = 0.75, Std = 0.2800, ChiSquare = 1.3077e-04 2.R10 HD2 = 4.290(S), Expected = 3.12, Std = 0.2400, ChiSquare = 1.0881e-06 2.R10 HD3 = 4.290(S), Expected = 3.10, Std = 0.2600, ChiSquare = 4.7186e-06