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 0.42 L 0.27 D 0.06 F 0.05 K 0.04 G 0.04 C 0.03 Y 0.03 I 0.01 C Shift Assignments>> CA :: 43.200 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> HA2 :: 3.840 HA3 :: 3.840 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) 1.Q2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.45 C 0.3 K 0.16 M 0.05 Q 0.03 C Shift Assignments>> C :: 175.054 CA :: 53.150 CB :: 27.691 CG :: 31.171 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>> HA :: 4.270 HB2 :: 1.710 HB3 :: 1.810 HG2 :: 2.610 HG3 :: 2.640 HE21 :: 6.560 HE22 :: 7.270 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>> NE2 :: 111.290 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.D3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.56 D 0.22 C 0.07 L 0.05 F 0.04 Y 0.03 C Shift Assignments>> C :: 175.491 CA :: 51.464 CB :: 39.479 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 :: 8.345 HA :: 4.468 HB2 :: 2.437 HB3 :: 2.353 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 :: 124.564 Ave N Shift Values>> N :: 120.65(3.86) 1.R4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.61 C 0.23 K 0.14 C Shift Assignments>> C :: 175.269 CA :: 54.587 CB :: 27.000 CG :: 24.866 CD :: 41.000 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.373 HA :: 3.751 HB2 :: 1.568 HB3 :: 1.568 HG2 :: 1.289 HG3 :: 1.340 HD2 :: 2.982 HD3 :: 2.980 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 121.604 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.F5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 F 0.43 C Shift Assignments>> C :: 174.726 CA :: 55.541 CB :: 36.534 CD1 :: 131.000 CD2 :: 131.000 CE1 :: 131.000 CE2 :: 131.000 CZ :: 131.000 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.122 HA :: 4.336 HB2 :: 2.907 HB3 :: 3.061 HD1 :: 7.080 HD2 :: 7.080 HE1 :: 7.190 HE2 :: 7.190 HZ :: 7.200 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 :: 118.434 Ave N Shift Values>> N :: 120.45(4.18) 1.V6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.95 V 0.04 C Shift Assignments>> C :: 174.565 CA :: 58.794 CB :: 31.369 CG1 :: 19.173 CG2 :: 17.911 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 :: 7.569 HA :: 4.150 HB :: 1.879 HG11 :: 0.614 HG12 :: 0.614 HG13 :: 0.614 HG21 :: 0.626 HG22 :: 0.626 HG23 :: 0.626 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 118.703 Ave N Shift Values>> N :: 121.14(4.54) 1.Y7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.69 C 0.29 C Shift Assignments>> C :: 175.447 CA :: 55.048 CB :: 38.511 CD1 :: 133.077 CD2 :: 133.077 CE1 :: 117.915 CE2 :: 117.915 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 :: 8.622 HA :: 4.916 HB2 :: 2.716 HB3 :: 2.488 HD1 :: 6.904 HD2 :: 6.904 HE1 :: 6.566 HE2 :: 6.566 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 :: 124.303 Ave N Shift Values>> N :: 120.52(4.2) 1.T8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 T 0.47 C Shift Assignments>> C :: 173.614 CA :: 57.332 CB :: 69.785 CG2 :: 19.636 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 :: 8.682 HA :: 4.876 HB :: 3.564 HG21 :: 0.801 HG22 :: 0.801 HG23 :: 0.801 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 :: 112.954 Ave N Shift Values>> N :: 115.42(4.75) 1.C9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.15 K 0.15 H 0.13 W 0.12 E 0.12 C 0.11 R 0.1 M 0.03 I 0.01 L 0.01 C Shift Assignments>> C :: 177.406 CA :: 56.485 CB :: 29.107 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.455 HA :: 4.066 HB2 :: 2.666 HB3 :: 3.359 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 :: 124.766 Ave N Shift Values>> N :: 120.17(4.64) 1.N10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.22 E 0.2 N 0.17 Y 0.14 F 0.09 M 0.07 D 0.02 I 0.02 K 0.01 C Shift Assignments>> CA :: 55.361 CB :: 37.099 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 9.558 HA :: 4.194 HB2 :: 1.966 HB3 :: 2.518 HD21 :: 7.350 HD22 :: 8.140 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 :: 130.124 ND2 :: 116.630 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.E11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.31 K 0.25 C 0.24 R 0.1 E 0.04 M 0.02 C Shift Assignments>> C :: 176.743 CA :: 55.697 CB :: 28.108 CG :: 33.730 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 :: 8.667 HA :: 4.487 HB2 :: 2.230 HB3 :: 2.100 HG2 :: 2.243 HG3 :: 2.243 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.999 Ave N Shift Values>> N :: 120.67(3.48) 1.C12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.14 W 0.14 Q 0.13 H 0.13 K 0.12 C 0.12 R 0.12 M 0.04 I 0.02 C Shift Assignments>> C :: 176.355 CA :: 57.164 CB :: 29.574 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.367 HA :: 4.764 HB2 :: 2.490 HB3 :: 3.074 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 :: 118.993 Ave N Shift Values>> N :: 120.17(4.64) 1.K13 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.66 C 0.33 C Shift Assignments>> C :: 175.590 CA :: 55.235 CB :: 26.190(S) CG :: 22.807 CD :: 26.603 CE :: 40.521 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 :: 7.643 HA :: 4.152 HB2 :: 2.133 HB3 :: 1.919 HG2 :: 1.145 HG3 :: 1.276 HD2 :: 1.499 HD3 :: 1.499 HE2 :: 2.894 HE3 :: 2.894 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 115.489 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.H14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.4 W 0.37 C 0.22 C Shift Assignments>> CA :: 54.539 CB :: 29.156 CD2 :: 120.700 CE1 :: 136.200 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 :: 8.250 HA :: 4.543 HB2 :: 3.241 HB3 :: 3.241 HD2 :: 7.140 HE1 :: 7.950 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 :: 119.950 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.H15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.42 W 0.35 C 0.21 HN Overlap>> 1.K43 1.K43 C Shift Assignments>> C :: 174.345 CA :: 54.315 CB :: 28.323 CD2 :: 119.800 CE1 :: 137.700 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 :: 8.515 HA :: 5.074 HB2 :: 3.015 HB3 :: 3.015 HD2 :: 6.980 HE1 :: 7.770 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 :: 121.250 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.V16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.97 V 0.02 C Shift Assignments>> C :: 175.446 CA :: 57.003 CB :: 33.282 CG1 :: 21.415 CG2 :: 17.089 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 :: 8.409 HA :: 4.708 HB :: 2.214 HG11 :: 0.858 HG12 :: 0.858 HG13 :: 0.858 HG21 :: 0.513 HG22 :: 0.513 HG23 :: 0.513 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 116.639 Ave N Shift Values>> N :: 121.14(4.54) 1.E17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.31 K 0.24 C 0.24 E 0.12 R 0.04 M 0.01 C Shift Assignments>> C :: 176.297 CA :: 55.134 CB :: 28.495 CG :: 34.549 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 :: 8.502 HA :: 4.460 HB2 :: 1.920 HB3 :: 2.081 HG2 :: 2.223 HG3 :: 2.223 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.496 Ave N Shift Values>> N :: 120.67(3.48) 1.T18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.4 C 0.31 S 0.28 C Shift Assignments>> C :: 176.713 CA :: 60.427 CB :: 66.920 CG2 :: 19.761 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 :: 7.727 HA :: 3.899 HB :: 3.899 HG21 :: 0.937 HG22 :: 0.937 HG23 :: 0.937 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 117.367 Ave N Shift Values>> N :: 115.42(4.75) 1.R19 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.66 K 0.28 L 0.02 G 0.01 C Shift Assignments>> C :: 172.305 CA :: 51.237 CB :: 30.358 CG :: 24.065 CD :: 41.120 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.640 HA :: 4.846 HB2 :: 1.287 HB3 :: 1.384 HG2 :: 1.145 HG3 :: 1.287 HD2 :: 2.248(S) HD3 :: 2.424 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 121.877 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.W20 Overall: Suspicious Typing: Suspicious SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.87 H 0.12 C Shift Assignments>> C :: 174.915 CA :: 54.150 CB :: 28.562 CD1 :: 124.610 CH2 :: 114.300(S) 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 :: 9.333 HA :: 4.709 HB2 :: 2.680 HB3 :: 2.736 HD1 :: 6.370 HE1 :: 9.530 HE3 :: 6.550 HZ2 :: 6.880 HZ3 :: 7.050 HH2 :: 7.180 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 :: 122.441 NE1 :: 126.700 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.H21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.48 W 0.34 C 0.17 C Shift Assignments>> C :: 175.061 CA :: 51.690 CB :: 29.729 CD2 :: 120.800 CE1 :: 137.600 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 :: 9.778 HA :: 5.580 HB2 :: 2.474 HB3 :: 2.838 HD2 :: 6.680 HE1 :: 8.700 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 :: 123.871 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.C22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.36 C 0.24 R 0.13 W 0.07 Q 0.04 L 0.03 H 0.03 K 0.03 E 0.03 C Shift Assignments>> C :: 175.174 CA :: 60.347 CB :: 26.860 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.686 HA :: 4.431 HB2 :: 2.865 HB3 :: 3.200 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 :: 128.679 Ave N Shift Values>> N :: 120.17(4.64) 1.T23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.84 C 0.13 S 0.01 C Shift Assignments>> C :: 174.307 CA :: 61.372 CB :: 68.052 CG2 :: 20.401 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 :: 8.156 HA :: 4.382 HB :: 4.382 HG21 :: 1.333 HG22 :: 1.333 HG23 :: 1.333 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 117.057 Ave N Shift Values>> N :: 115.42(4.75) 1.V24 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.78 V 0.21 C Shift Assignments>> C :: 176.999 CA :: 62.441 CB :: 33.138 CG1 :: 19.249 CG2 :: 17.978 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 :: 9.445 HA :: 3.863 HB :: 0.865(S) HG11 :: 0.709 HG12 :: 0.709 HG13 :: 0.709 HG21 :: 0.281 HG22 :: 0.281 HG23 :: 0.281 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 :: 127.736 Ave N Shift Values>> N :: 121.14(4.54) 1.C25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.19 I 0.17 W 0.15 K 0.11 E 0.1 Q 0.08 H 0.07 R 0.06 V 0.01 M 0.01 L 0.01 C Shift Assignments>> C :: 175.826 CA :: 59.652 CB :: 28.621 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 9.064 HA :: 3.987 HB2 :: 2.615 HB3 :: 2.968 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 123.987 Ave N Shift Values>> N :: 120.17(4.64) 1.E26 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 R 0.31 L 0.18 K 0.04 C Shift Assignments>> C :: 173.027 CA :: 56.024 CB :: 27.722 CG :: 27.722(S) Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.751 HA :: 4.027 HB2 :: 1.930 HB3 :: 1.930 HG2 :: 2.224 HG3 :: 2.224 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 123.651 Ave N Shift Values>> N :: 120.67(3.48) 1.D27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.59 D 0.17 C 0.08 F 0.05 Y 0.04 L 0.04 C Shift Assignments>> C :: 173.182 CA :: 52.232 CB :: 38.917 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 :: 8.659 HA :: 4.544 HB2 :: 2.808 HB3 :: 2.474 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 122.061 Ave N Shift Values>> N :: 120.65(3.86) 1.Y28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.71 C 0.28 C Shift Assignments>> C :: 172.787 CA :: 56.033 CB :: 39.876 CD1 :: 132.257 CD2 :: 132.257 CE1 :: 117.588 CE2 :: 117.588 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.764 HA :: 4.558 HB2 :: 2.409 HB3 :: 2.560 HD1 :: 6.622 HD2 :: 6.622 HE1 :: 6.256 HE2 :: 6.256 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 :: 124.644 Ave N Shift Values>> N :: 120.52(4.2) 1.D29 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.86 L 0.05 D 0.02 R 0.02 C 0.01 C Shift Assignments>> C :: 174.123 CA :: 49.894 CB :: 43.958 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 :: 8.058 HA :: 5.929(S) HB2 :: 2.402 HB3 :: 2.127 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 :: 126.361 Ave N Shift Values>> N :: 120.65(3.86) 1.L30 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.96 C 0.02 L 0.01 C Shift Assignments>> C :: 177.397 CA :: 50.349 CB :: 45.459 CG :: 24.726 CD1 :: 22.533 CD2 :: 24.726 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 :: 9.337 HA :: 6.025(S) HB2 :: 1.615 HB3 :: 1.698 HG :: 1.397 HD11 :: 0.886 HD12 :: 0.886 HD13 :: 0.886 HD21 :: 1.059 HD22 :: 1.059 HD23 :: 1.059 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 118.104 Ave N Shift Values>> N :: 121.86(3.9) 1.C31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.17 Q 0.15 R 0.14 W 0.12 C 0.12 E 0.1 K 0.09 M 0.07 C Shift Assignments>> C :: 175.265 CA :: 54.732 CB :: 29.903 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 9.452 HA :: 4.904 HB2 :: 3.676 HB3 :: 2.899 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 :: 119.478 Ave N Shift Values>> N :: 120.17(4.64) 1.I32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 I 0.48 C Shift Assignments>> C :: 177.312 CA :: 63.316 CB :: 35.643 CG1 :: 26.523 CG2 :: 15.694 CD1 :: 11.385 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 9.003 HA :: 3.848 HB :: 1.989 HG12 :: 1.327 HG13 :: 1.560 HG21 :: 1.022 HG22 :: 1.022 HG23 :: 1.022 HD11 :: 0.874 HD12 :: 0.874 HD13 :: 0.874 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 :: 117.679 Ave N Shift Values>> N :: 121.46(4.28) 1.N33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.23 C 0.21 E 0.18 Y 0.11 M 0.08 F 0.07 D 0.02 K 0.01 I 0.01 C Shift Assignments>> C :: 178.724 CA :: 54.810 CB :: 36.986 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 :: 8.071 HA :: 4.550 HB2 :: 2.892 HB3 :: 2.892 HD21 :: 6.980 HD22 :: 7.890 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 119.215 ND2 :: 115.100 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.C34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.62 C 0.21 W 0.06 V 0.02 R 0.01 K 0.01 E 0.01 H 0.01 C Shift Assignments>> C :: 177.901 CA :: 62.736 CB :: 28.014 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 9.449 HA :: 3.927 HB2 :: 2.999 HB3 :: 2.787 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 :: 125.863 Ave N Shift Values>> N :: 120.17(4.64) 1.Y35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.58 Y 0.41 C Shift Assignments>> CA :: 59.597 CB :: 36.473 CD1 :: 131.799 CD2 :: 131.799 CE1 :: 116.777 CE2 :: 116.777 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.940 HA :: 3.812 HB2 :: 2.614 HB3 :: 2.571 HD1 :: 6.385 HD2 :: 6.385 HE1 :: 6.031 HE2 :: 6.031 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 :: 121.271 Ave N Shift Values>> N :: 120.52(4.2) 1.N36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.43 C 0.21 M 0.1 E 0.09 Y 0.04 F 0.03 K 0.02 D 0.01 Q 0.01 C Shift Assignments>> C :: 176.615 CA :: 52.775 CB :: 36.519 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.760 HA :: 4.201 HB2 :: 2.915 HB3 :: 2.788 HD21 :: 6.820 HD22 :: 7.640 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 114.596 ND2 :: 112.110 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.T37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.73 C 0.23 S 0.03 C Shift Assignments>> C :: 175.084 CA :: 60.938 CB :: 68.005 CG2 :: 19.641 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 :: 7.537 HA :: 4.227 HB :: 4.130 HG21 :: 1.155 HG22 :: 1.155 HG23 :: 1.155 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 109.635 Ave N Shift Values>> N :: 115.42(4.75) 1.K38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.93 R 0.03 K 0.01 L 0.01 C Shift Assignments>> CA :: 53.702 CB :: 30.578 CG :: 22.725 CD :: 26.652 CE :: 40.268 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 :: 8.208 HA :: 4.257 HB2 :: 1.763 HB3 :: 1.763 HG2 :: 1.343 HG3 :: 1.343 HD2 :: 1.500 HD3 :: 1.500 HE2 :: 2.901 HE3 :: 2.901 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 121.959 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.S39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.T41 1.T41 C Shift Assignments>> C :: 173.037 CA :: 55.776 CB :: 61.015 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.760 HA :: 3.778 HB2 :: 3.551 HB3 :: 3.551 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 113.801 Ave N Shift Values>> N :: 116.28(3.52) 1.H40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.52 C 0.28 H 0.19 C Shift Assignments>> CA :: 53.727 CB :: 29.359 CD2 :: 126.000 CE1 :: 140.200 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 :: 8.500 HA :: 4.567 HB2 :: 3.229 HB3 :: 3.229 HD2 :: 7.180 HE1 :: 7.150 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 :: 119.852 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.T41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.64 C 0.28 T 0.06 HN Overlap>> 1.S39 1.S39 C Shift Assignments>> C :: 173.709 CA :: 61.138 CB :: 66.349 CG2 :: 18.727 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 :: 7.738 HA :: 3.769 HB :: 3.559 HG21 :: 0.647 HG22 :: 0.647 HG23 :: 0.647 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 113.802 Ave N Shift Values>> N :: 115.42(4.75) 1.H42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.44 C 0.39 W 0.15 C Shift Assignments>> C :: 174.487 CA :: 51.038 CB :: 32.692 CD2 :: 118.000 CE1 :: 138.400 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 6.028 HA :: 4.813 HB2 :: 3.642 HB3 :: 3.072 HD2 :: 7.090 HE1 :: 7.630 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 117.346 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.K43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.92 L 0.03 K 0.02 R 0.01 HN Overlap>> 1.H15 1.H15 C Shift Assignments>> C :: 176.105 CA :: 55.338 CB :: 30.073 CG :: 22.950 CD :: 27.198 CE :: 40.023 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 :: 8.536 HA :: 4.168 HB2 :: 1.839 HB3 :: 1.698 HG2 :: 1.317 HG3 :: 1.547 HD2 :: 1.698 HD3 :: 1.698 HE2 :: 2.982 HE3 :: 2.982 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 121.167 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.M44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.63 C 0.36 C Shift Assignments>> C :: 174.402 CA :: 52.261 CB :: 35.621 CG :: 31.404 CE :: 16.790 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.907 HA :: 5.401 HB2 :: 2.157 HB3 :: 2.157 HG2 :: 2.252 HG3 :: 3.255 HE1 :: 1.890 HE2 :: 1.890 HE3 :: 1.890 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 126.858 Ave N Shift Values>> N :: 120.09(3.57) 1.V45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.98 V 0.01 C Shift Assignments>> C :: 173.953 CA :: 57.665 CB :: 33.092 CG1 :: 17.860 CG2 :: 18.926 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 :: 8.876 HA :: 4.598 HB :: 1.967 HG11 :: 0.790 HG12 :: 0.790 HG13 :: 0.790 HG21 :: 0.760 HG22 :: 0.760 HG23 :: 0.760 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 :: 117.113 Ave N Shift Values>> N :: 121.14(4.54) 1.K46 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.9 L 0.09 C Shift Assignments>> C :: 175.531 CA :: 53.711 CB :: 29.265 CG :: 21.985 CD :: 26.962 CE :: 39.331 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 :: 8.171 HA :: 3.774 HB2 :: 0.911(S) HB3 :: -0.449(S) HG2 :: -0.247(S) HG3 :: 0.389(S) HD2 :: 0.987 HD3 :: 0.987 HE2 :: 2.367 HE3 :: 2.367 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 128.934 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.W47 Overall: Suspicious Typing: Suspicious SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.82 H 0.17 C Shift Assignments>> C :: 175.224 CA :: 53.449 CB :: 29.693 CD1 :: 125.300 CH2 :: 114.200(S) 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 :: 9.066 HA :: 4.627 HB2 :: 2.626 HB3 :: 2.943 HD1 :: 6.960 HE1 :: 9.860 HE3 :: 7.250 HZ2 :: 6.760 HZ3 :: 7.030 HH2 :: 7.300 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 :: 129.761 NE1 :: 128.350 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.G48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.33 K 0.17 R 0.15 D 0.11 F 0.08 Y 0.05 C 0.03 I 0.02 G 0.01 C Shift Assignments>> C :: 173.481 CA :: 42.462 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.017 HA2 :: 3.805 HA3 :: 4.124 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.046 Ave N Shift Values>> N :: 109.67(3.87) 1.L49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.68 L 0.3 C Shift Assignments>> C :: 178.016 CA :: 53.043 CB :: 40.330 CG :: 24.747 CD1 :: 21.428 CD2 :: 22.864 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 :: 8.204 HA :: 4.205 HB2 :: 1.495 HB3 :: 1.495 HG :: 1.495 HD11 :: 0.747 HD12 :: 0.747 HD13 :: 0.747 HD21 :: 0.790 HD22 :: 0.790 HD23 :: 0.790 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 :: 121.437 Ave N Shift Values>> N :: 121.86(3.9) 1.G50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.41 L 0.28 D 0.06 G 0.05 F 0.05 K 0.04 C 0.03 Y 0.03 C Shift Assignments>> C :: 173.967 CA :: 43.283 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.436 HA2 :: 3.818 HA3 :: 3.818 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.036 Ave N Shift Values>> N :: 109.67(3.87) 1.L51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.64 L 0.35 C Shift Assignments>> C :: 176.182 CA :: 52.680 CB :: 40.157 CG :: 27.390 CD1 :: 20.996 CD2 :: 22.947 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 :: 7.999 HA :: 4.289 HB2 :: 1.505 HB3 :: 1.505 HG :: 1.505 HD11 :: 0.735 HD12 :: 0.735 HD13 :: 0.735 HD21 :: 0.808 HD22 :: 0.808 HD23 :: 0.808 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 :: 121.610 Ave N Shift Values>> N :: 121.86(3.9) 1.D52 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 7.816 HA :: 4.272 HB2 :: 2.480 HB3 :: 2.565 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 :: 125.844 Ave N Shift Values>> N :: 120.65(3.86) 2.ZN1 Overall Status: Residue type ZN not supported. ########################################################################### Overall Results: #Consistent: 43 #Clerical: 0 #Suspicious: 6 #Anomalous: 0 #Mistyped: 3 #Indeterminable: 0 Typing Results: #Consistent: 46 #Suspicious: 2 #Mistyped: 3 #Indeterminable: 1 Shift Relative Order (SRO) Results: #Consistent: 52 #Suspicious: 0 C Shift Results: #Consistent: 218 #Duplicate: 0 #Unknown: 0 #Suspicious: 4 #Anomalous: 0 H Shift Results: #Consistent: 345 #Duplicate: 0 #Unknown: 0 #Suspicious: 8 #Anomalous: 0 N Shift Results: #Consistent: 56 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.K13 Typing: Mistyped 1.K13 CB = 26.190(S), Expected = 32.79, Std = 1.7800, ChiSquare = 2.0901e-04 1.R19 HD2 = 2.248(S), Expected = 3.12, Std = 0.2400, ChiSquare = 2.7978e-04 1.W20 Typing: Suspicious 1.W20 CH2 = 114.300(S), Expected = 123.86, Std = 1.4200, ChiSquare = 1.6689e-11 1.V24 HB = 0.865(S), Expected = 1.98, Std = 0.3200, ChiSquare = 4.9329e-04 1.E26 Typing: Mistyped 1.E26 CG = 27.722(S), Expected = 36.11, Std = 1.1900, ChiSquare = 1.8055e-12 1.D29 HA = 5.929(S), Expected = 4.59, Std = 0.3200, ChiSquare = 2.8595e-05 1.L30 HA = 6.025(S), Expected = 4.32, Std = 0.4700, ChiSquare = 2.8600e-04 1.K46 Typing: Mistyped 1.K46 HB2 = 0.911(S), Expected = 1.78, Std = 0.2500, ChiSquare = 5.0895e-04 1.K46 HB3 = -0.449(S), Expected = 1.74, Std = 0.2700, ChiSquare = 5.1711e-16 1.K46 HG2 = -0.247(S), Expected = 1.37, Std = 0.2600, ChiSquare = 4.9960e-10 1.K46 HG3 = 0.389(S), Expected = 1.35, Std = 0.2800, ChiSquare = 5.9883e-04 1.W47 Typing: Suspicious 1.W47 CH2 = 114.200(S), Expected = 123.86, Std = 1.4200, ChiSquare = 1.0259e-11