Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.96 A 0.02 C Shift Assignments>> C :: 169.038(S) CA :: 52.561 CB :: 30.945 CG :: 28.027 CE :: 13.200 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>> HA :: 4.220 HB2 :: 1.845 HB3 :: 1.474 HG2 :: 2.209 HG3 :: 2.127 HE1 :: 1.451 HE2 :: 1.451 HE3 :: 1.451 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) 1.F2 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.79 F 0.19 HN Overlap>> 1.S53 1.S53 C Shift Assignments>> C :: 168.621(S) CA :: 53.999 CB :: 38.238 CD1 :: 128.746 CE1 :: 129.726 CZ :: 128.031 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 :: 9.288 HA :: 5.321 HB2 :: 2.825 HB3 :: 3.292 HD1 :: 7.015 HD2 :: 7.015 HE1 :: 7.246 HE2 :: 7.246 HZ :: 6.961 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 :: 119.659 Ave N Shift Values>> N :: 120.45(4.18) 1.K3 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Suspicious H Shifts: Anomalous N Shifts: Consistent PRTL>> C 0.62 A 0.37 C Shift Assignments>> C :: 171.825 CA :: 52.405 CB :: 34.282 CG :: 26.283 CD :: 22.728(S) CE :: 37.650(S) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.302 HA :: 4.744 HB2 :: 1.175 HB3 :: 1.502 HG2 :: 0.899 HG3 :: 0.724 HD2 :: 0.726(S) HD3 :: 0.635(S) HE2 :: 0.842(A) HE3 :: 1.176(A) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 119.695 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) SRO Rule Breaks>> (HE2 > HB2 : 0.9970) (HE2 > HB3 : 0.9957) (HE3 > HB3 : 0.9974) (HE2 > HG2 : 0.9988) 1.C4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.67 D 0.14 C 0.09 F 0.02 L 0.02 Y 0.02 C Shift Assignments>> C :: 173.544 CA :: 50.219 CB :: 38.959 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.327 HA :: 4.884 HB2 :: 2.287 HB3 :: 3.122 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 117.482 Ave N Shift Values>> N :: 120.17(4.64) 1.F5 Overall: Suspicious Typing: Suspicious SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.92 W 0.07 C Shift Assignments>> C :: 173.336 CA :: 58.776 CB :: 35.815 CD1 :: 128.016 CE1 :: 126.838 CZ :: 129.025 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 :: 8.681 HA :: 4.374 HB2 :: 2.461 HB3 :: 2.776 HD1 :: 6.939 HD2 :: 6.939 HE1 :: 7.151 HE2 :: 7.151 HZ :: 7.245 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 121.627 Ave N Shift Values>> N :: 120.45(4.18) 1.T6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.68 C 0.25 T 0.06 C Shift Assignments>> C :: 169.663 CA :: 56.735 CB :: 69.271 CG2 :: 18.941 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 :: 7.601 HA :: 4.777 HB :: 4.176 HG21 :: 1.136 HG22 :: 1.136 HG23 :: 1.136 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 111.961 Ave N Shift Values>> N :: 115.42(4.75) 1.C7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.85 L 0.09 C 0.03 C Shift Assignments>> C :: 169.807 CA :: 53.076 CB :: 45.972 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.855 HA :: 4.741 HB2 :: 3.726 HB3 :: 4.037 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 :: 114.556 Ave N Shift Values>> N :: 120.17(4.64) 1.E8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.33 K 0.28 C 0.22 M 0.09 R 0.04 E 0.01 C Shift Assignments>> C :: 171.578 CA :: 53.188 CB :: 29.231 CG :: 33.313 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 :: 8.606 HA :: 4.796 HB2 :: 1.933 HB3 :: 1.887 HG2 :: 2.166 HG3 :: 2.166 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 :: 120.299 Ave N Shift Values>> N :: 120.67(3.48) 1.N9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 M 0.23 P 0.12 Q 0.11 K 0.07 N 0.06 H 0.02 R 0.02 E 0.01 W 0.01 C Shift Assignments>> C :: 172.073 CA :: 51.420 CB :: 34.472 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.326 HA :: 4.241 HB2 :: 2.985 HB3 :: 2.699 HD21 :: 7.504 HD22 :: 6.867 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 123.699 ND2 :: 113.487 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.A10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.93 M 0.03 G 0.02 C 0.01 HN Overlap>> 1.E78 1.E78 C Shift Assignments>> C :: 175.797 CA :: 49.288 CB :: 18.822 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.996 HA :: 4.516 HB1 :: 1.539 HB2 :: 1.539 HB3 :: 1.539 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.797 Ave N Shift Values>> N :: 123.23(3.54) 1.G11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.32 R 0.25 K 0.11 D 0.1 F 0.07 Y 0.04 C 0.03 G 0.02 I 0.01 C Shift Assignments>> C :: 170.549 CA :: 42.742 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.840 HA2 :: 4.101 HA3 :: 3.752 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.121 Ave N Shift Values>> N :: 109.67(3.87) 1.D12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.45 D 0.31 L 0.08 C 0.07 F 0.03 Y 0.02 C Shift Assignments>> C :: 172.607 CA :: 50.404 CB :: 40.392 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 :: 7.293 HA :: 4.484 HB2 :: 2.865 HB3 :: 2.793 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 :: 112.095 Ave N Shift Values>> N :: 120.65(3.86) 1.N13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.42 C 0.18 E 0.09 Y 0.08 F 0.06 M 0.06 D 0.04 L 0.01 K 0.01 C Shift Assignments>> C :: 173.453 CA :: 53.828 CB :: 37.227 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 :: 8.919 HA :: 4.068 HB2 :: 2.306 HB3 :: 2.517 HD21 :: 7.301 HD22 :: 7.139 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 120.600 ND2 :: 111.864 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.Y14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.81 W 0.08 H 0.08 Y 0.01 C Shift Assignments>> C :: 175.289 CA :: 58.450 CB :: 34.751 CD1 :: 130.603 CE1 :: 115.288 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 :: 8.151 HA :: 3.899 HB2 :: 3.033 HB3 :: 2.892 HD1 :: 6.985 HD2 :: 6.985 HE1 :: 6.689 HE2 :: 6.689 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 :: 118.527 Ave N Shift Values>> N :: 120.52(4.2) 1.N15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.24 N 0.21 E 0.17 M 0.16 Y 0.05 K 0.04 Q 0.03 F 0.03 C Shift Assignments>> C :: 174.521 CA :: 53.765 CB :: 36.050 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 :: 8.916 HA :: 4.105 HB2 :: 2.845 HB3 :: 2.649 HD21 :: 8.921 HD22 :: 7.112 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 117.488 ND2 :: 116.799 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.C16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.21 L 0.17 Y 0.17 K 0.14 D 0.14 C 0.08 I 0.02 N 0.02 R 0.01 HN Overlap>> 1.V60 1.V60 C Shift Assignments>> C :: 172.034 CA :: 56.906 CB :: 41.017 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.515 HA :: 4.068 HB2 :: 2.801 HB3 :: 3.183 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 :: 116.946 Ave N Shift Values>> N :: 120.17(4.64) 1.N17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.26 C 0.21 M 0.2 Q 0.1 K 0.07 H 0.04 R 0.03 W 0.02 N 0.01 C Shift Assignments>> C :: 174.612 CA :: 51.549 CB :: 33.608 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 :: 7.395 HA :: 4.072 HB2 :: 2.254 HB3 :: 1.993 HD21 :: 6.932 HD22 :: 6.263 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 :: 115.441 ND2 :: 105.946 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.R18 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.62 C 0.3 A 0.03 K 0.03 C Shift Assignments>> C :: 174.273 CA :: 54.733 CB :: 27.180 CG :: 23.275 CD :: 40.253(S) 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 :: 7.770 HA :: 3.823 HB2 :: 1.241 HB3 :: 1.097 HG2 :: 0.836 HG3 :: 0.612 HD2 :: 2.594 HD3 :: 2.467 HE :: 6.679 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 119.307 NE :: 84.900 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.W19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.91 W 0.08 C Shift Assignments>> C :: 173.088 CA :: 53.525 CB :: 26.242 CD1 :: 125.432 CE3 :: 118.463 CZ2 :: 111.794 CZ3 :: 119.223 CH2 :: 121.865 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 7.307 HA :: 4.792 HB2 :: 3.570 HB3 :: 3.276 HD1 :: 7.395 HE1 :: 9.977 HE3 :: 7.667 HZ2 :: 7.392 HZ3 :: 7.063 HH2 :: 7.137 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 :: 118.419 NE1 :: 128.058 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.A20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.87 M 0.11 C Shift Assignments>> C :: 175.055 CA :: 49.954 CB :: 17.215 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.491 HA :: 4.464 HB1 :: 1.610 HB2 :: 1.610 HB3 :: 1.610 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.956 Ave N Shift Values>> N :: 123.23(3.54) 1.E21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.33 K 0.24 C 0.24 R 0.12 M 0.03 E 0.02 C Shift Assignments>> C :: 173.674 CA :: 53.808 CB :: 28.052 CG :: 33.610 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 :: 8.397 HA :: 4.138 HB2 :: 1.897 HB3 :: 1.897 HG2 :: 2.307 HG3 :: 2.192 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 :: 121.715 Ave N Shift Values>> N :: 120.67(3.48) 1.D22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.66 C 0.18 M 0.03 D 0.02 Y 0.02 F 0.02 E 0.01 C Shift Assignments>> C :: 172.047 CA :: 50.859 CB :: 37.010 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 :: 8.705 HA :: 4.379 HB2 :: 2.594 HB3 :: 2.364 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 :: 123.538 Ave N Shift Values>> N :: 120.65(3.86) 1.K23 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.64 C 0.34 C Shift Assignments>> C :: 172.463 CA :: 51.916 CB :: 32.602 CG :: 21.636 CD :: 26.470 CE :: 39.511 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 :: 7.310 HA :: 4.355 HB2 :: 1.690 HB3 :: 1.534 HG2 :: 1.252 HG3 :: 1.252 HD2 :: 1.583 HD3 :: 1.583 HE2 :: 2.929 HE3 :: 2.929 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 :: 121.398 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.W24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.91 W 0.08 C Shift Assignments>> C :: 174.703 CA :: 54.134 CB :: 27.430 CD1 :: 125.622 CE3 :: 118.675 CZ2 :: 112.093 CZ3 :: 118.178 CH2 :: 121.693 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 :: 8.078 HA :: 4.363 HB2 :: 3.185 HB3 :: 2.862 HD1 :: 7.268 HE1 :: 10.051 HE3 :: 7.306 HZ2 :: 7.420 HZ3 :: 6.707 HH2 :: 7.127 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 :: 121.871 NE1 :: 129.152 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.C25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.86 C 0.06 M 0.02 C Shift Assignments>> CA :: 49.510 CB :: 33.177 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.933 HA :: 4.930 HB2 :: 1.632 HB3 :: 3.088 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 :: 121.266 Ave N Shift Values>> N :: 120.17(4.64) 1.P26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.89 G 0.1 C Shift Assignments>> C :: 175.120 CA :: 59.845 CB :: 29.973 CG :: 24.871 CD :: 47.580 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 :: 4.533 HB2 :: 2.406 HB3 :: 2.031 HG2 :: 2.057 HG3 :: 2.057 HD2 :: 4.038 HD3 :: 3.434 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.Q27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 R 0.35 K 0.27 Q 0.01 C Shift Assignments>> C :: 172.945 CA :: 55.458 CB :: 25.893 CG :: 31.014 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.840 HA :: 4.137 HB2 :: 2.055 HB3 :: 2.055 HG2 :: 2.424 HG3 :: 2.424 HE21 :: 7.504 HE22 :: 6.792 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 120.914 NE2 :: 111.976 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.N28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.44 C 0.22 M 0.14 Q 0.06 K 0.03 N 0.02 H 0.02 R 0.01 C Shift Assignments>> C :: 172.177 CA :: 50.635 CB :: 34.188 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 :: 8.265 HA :: 4.642 HB2 :: 3.082 HB3 :: 2.806 HD21 :: 7.527 HD22 :: 6.731 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 :: 114.120 ND2 :: 111.469 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.T29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.68 C 0.26 A 0.05 C Shift Assignments>> C :: 170.588 CA :: 58.309 CB :: 69.583 CG2 :: 20.386 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 :: 7.587 HA :: 4.258 HB :: 4.176 HG21 :: 0.951 HG22 :: 0.951 HG23 :: 0.951 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 :: 108.469 Ave N Shift Values>> N :: 115.42(4.75) 1.Q30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 K 0.29 M 0.24 R 0.08 Q 0.07 C Shift Assignments>> C :: 170.914 CA :: 54.280 CB :: 29.713 CG :: 31.325 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 :: 7.819 HA :: 4.346 HB2 :: 1.366 HB3 :: 1.573 HG2 :: 1.910 HG3 :: 1.910 HE21 :: 7.233 HE22 :: 6.410 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 117.085 NE2 :: 111.259 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Y31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.88 Y 0.06 G 0.05 C Shift Assignments>> C :: 172.216 CA :: 53.293 CB :: 41.679 CD1 :: 130.714 CE1 :: 115.004 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 :: 8.550 HA :: 5.148 HB2 :: 2.503 HB3 :: 3.159 HD1 :: 6.746 HD2 :: 6.746 HE1 :: 6.615 HE2 :: 6.615 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 :: 117.497 Ave N Shift Values>> N :: 120.52(4.2) 1.C32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 N 0.31 M 0.13 P 0.04 Q 0.02 E 0.02 K 0.02 Y 0.01 C Shift Assignments>> C :: 171.487 CA :: 50.426 CB :: 35.571 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 9.332 HA :: 5.728 HB2 :: 3.204 HB3 :: 3.072 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 :: 116.484 Ave N Shift Values>> N :: 120.17(4.64) 1.L33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.43 G 0.29 L 0.15 C 0.11 C Shift Assignments>> C :: 173.362 CA :: 51.824 CB :: 43.639 CG :: 25.397 CD1 :: 21.590 CD2 :: 24.065 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 :: 9.493 HA :: 5.466 HB2 :: 1.659 HB3 :: 1.438 HG :: 1.461 HD11 :: 0.895 HD12 :: 0.895 HD13 :: 0.895 HD21 :: 0.763 HD22 :: 0.763 HD23 :: 0.763 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 :: 129.221 Ave N Shift Values>> N :: 121.86(3.9) 1.T34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.73 C 0.23 S 0.02 C Shift Assignments>> C :: 169.624 CA :: 59.772 CB :: 67.849 CG2 :: 21.351 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 :: 8.893 HA :: 5.039 HB :: 3.953 HG21 :: 1.067 HG22 :: 1.067 HG23 :: 1.067 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 :: 122.073 Ave N Shift Values>> N :: 115.42(4.75) 1.V35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.95 I 0.01 V 0.01 A 0.01 C Shift Assignments>> C :: 171.434 CA :: 59.011 CB :: 31.212 CG1 :: 18.906 CG2 :: 17.332 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 :: 9.743 HA :: 4.575 HB :: 2.092 HG11 :: 0.911 HG12 :: 0.911 HG13 :: 0.911 HG21 :: 0.911 HG22 :: 0.911 HG23 :: 0.911 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 :: 126.725 Ave N Shift Values>> N :: 121.14(4.54) 1.H36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.84 C 0.06 H 0.02 R 0.01 M 0.01 W 0.01 C Shift Assignments>> C :: 170.406 CA :: 49.760 CB :: 30.596 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 :: 9.351 HA :: 5.593 HB2 :: 3.357 HB3 :: 2.615 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 :: 127.107 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.H37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.47 C 0.4 W 0.12 C Shift Assignments>> C :: 171.825 CA :: 51.866 CB :: 28.992 CD2 :: 117.367 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 :: 9.500 HA :: 5.507 HB2 :: 3.049 HB3 :: 3.265 HD2 :: 7.086 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 :: 127.350 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.F38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.93 F 0.06 C Shift Assignments>> C :: 171.526 CA :: 53.122 CB :: 38.086 CD1 :: 130.019 CE1 :: 127.650 CZ :: 126.904 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 :: 8.558 HA :: 5.433 HB2 :: 2.896 HB3 :: 2.736 HD1 :: 6.236 HD2 :: 6.236 HE1 :: 6.899 HE2 :: 6.899 HZ :: 7.166 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 :: 119.206 Ave N Shift Values>> N :: 120.45(4.18) 1.T39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.68 C 0.26 T 0.04 C Shift Assignments>> C :: 173.388 CA :: 56.874 CB :: 68.945 CG2 :: 18.680 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 :: 8.695 HA :: 5.012 HB :: 4.506 HG21 :: 1.165 HG22 :: 1.165 HG23 :: 1.165 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 111.163 Ave N Shift Values>> N :: 115.42(4.75) 1.S40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 57.269 CB :: 60.305 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.394 HA :: 4.245 HB2 :: 3.806 HB3 :: 3.806 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 116.108 Ave N Shift Values>> N :: 116.28(3.52) 1.H41 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.33 R 0.19 K 0.14 D 0.11 F 0.08 Y 0.04 C 0.03 I 0.01 G 0.01 C Shift Assignments>> C :: 171.226 CA :: 42.588 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.324 HA2 :: 3.887 HA3 :: 3.887 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.455 Ave N Shift Values>> N :: 109.67(3.87) 1.R43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.46 C 0.28 K 0.22 A 0.01 C Shift Assignments>> C :: 173.740 CA :: 53.323 CB :: 28.280 CG :: 24.316 CD :: 40.565 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 :: 8.198 HA :: 4.346 HB2 :: 1.811 HB3 :: 1.705 HG2 :: 1.582 HG3 :: 1.582 HD2 :: 3.111 HD3 :: 3.111 HE :: 7.530 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 120.498 NE :: 84.142 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.S44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.138 CA :: 55.610 CB :: 61.112 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.399 HA :: 4.478 HB2 :: 3.794 HB3 :: 3.794 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 :: 117.119 Ave N Shift Values>> N :: 116.28(3.52) 1.T45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.43 C 0.38 T 0.11 A 0.06 C Shift Assignments>> C :: 171.799 CA :: 58.949 CB :: 67.024 CG2 :: 19.051 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.189 HA :: 4.377 HB :: 4.213 HG21 :: 1.147 HG22 :: 1.147 HG23 :: 1.147 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 115.630 Ave N Shift Values>> N :: 115.42(4.75) 1.S46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 55.686 CB :: 60.985 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.244 HA :: 4.359 HB2 :: 3.737 HB3 :: 3.737 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 :: 117.816 Ave N Shift Values>> N :: 116.28(3.52) 1.I47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.56 I 0.4 A 0.02 C Shift Assignments>> C :: 171.851 CA :: 57.599 CB :: 40.110 CG1 :: 25.859 CG2 :: 16.125 CD1 :: 12.691 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>> HA :: 5.141 HB :: 1.400 HG12 :: 1.546 HG13 :: 0.875 HG21 :: 0.748 HG22 :: 0.748 HG23 :: 0.748 HD11 :: 0.521 HD12 :: 0.521 HD13 :: 0.521 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) 1.T48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.6 T 0.27 A 0.12 C Shift Assignments>> C :: 169.533 CA :: 58.885 CB :: 70.463 CG2 :: 18.605 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 9.021 HA :: 4.885 HB :: 3.910 HG21 :: 1.346 HG22 :: 1.346 HG23 :: 1.346 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 :: 123.341 Ave N Shift Values>> N :: 115.42(4.75) 1.K49 Overall: Suspicious Typing: Suspicious SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.85 A 0.14 C Shift Assignments>> C :: 173.414 CA :: 52.575 CB :: 34.607 CG :: 28.118 CD :: 23.703(S) CE :: 39.509 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 :: 9.053 HA :: 5.626 HB2 :: 1.830 HB3 :: 1.546 HG2 :: 1.973 HG3 :: 1.378 HD2 :: 1.825 HD3 :: 1.162 HE2 :: 2.602 HE3 :: 2.602 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 :: 126.964 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K50 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.76 C 0.21 M 0.02 C Shift Assignments>> C :: 172.268 CA :: 52.795 CB :: 32.488 CG :: 19.731(S) CD :: 26.009 CE :: 38.217(S) 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 :: 8.894 HA :: 4.883 HB2 :: 1.929 HB3 :: 2.045 HG2 :: 1.350 HG3 :: 1.203 HD2 :: 1.793 HD3 :: 1.585 HE2 :: 2.990 HE3 :: 2.990 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 :: 117.334 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.C51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.25 N 0.17 F 0.16 Y 0.15 L 0.13 C 0.09 I 0.01 K 0.01 C Shift Assignments>> C :: 172.815 CA :: 55.138 CB :: 39.842 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.811 HA :: 5.401 HB2 :: 3.192 HB3 :: 3.111 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 :: 121.427 Ave N Shift Values>> N :: 120.17(4.64) 1.A52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.59 C 0.12 L 0.12 A 0.12 P 0.01 C Shift Assignments>> C :: 174.065 CA :: 48.494 CB :: 23.327 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.787 HA :: 5.218 HB1 :: 1.393 HB2 :: 1.393 HB3 :: 1.393 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.520 Ave N Shift Values>> N :: 123.23(3.54) 1.S53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 HN Overlap>> 1.F2 1.F2 C Shift Assignments>> C :: 172.346 CA :: 54.232 CB :: 63.216 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.350 HA :: 4.884 HB2 :: 4.410 HB3 :: 4.114 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 :: 119.638 Ave N Shift Values>> N :: 116.28(3.52) 1.R54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.43 C 0.4 K 0.16 C Shift Assignments>> C :: 176.631 CA :: 57.567 CB :: 27.355 CG :: 24.788 CD :: 40.520 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 :: 8.930 HA :: 3.798 HB2 :: 1.926 HB3 :: 1.926 HG2 :: 1.605 HG3 :: 1.605 HD2 :: 3.180 HD3 :: 3.180 HE :: 7.145 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 120.091 NE :: 84.549 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.S55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.352 CA :: 58.670 CB :: 59.596 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.402 HA :: 3.955 HB2 :: 3.856 HB3 :: 3.856 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 :: 113.566 Ave N Shift Values>> N :: 116.28(3.52) 1.E56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 E 0.26 Q 0.2 K 0.18 I 0.02 R 0.02 C Shift Assignments>> C :: 174.925 CA :: 55.799 CB :: 28.262 CG :: 35.415 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 :: 7.549 HA :: 4.214 HB2 :: 2.337 HB3 :: 2.104 HG2 :: 2.356 HG3 :: 2.220 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 :: 121.324 Ave N Shift Values>> N :: 120.67(3.48) 1.C57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.56 D 0.15 C 0.09 Y 0.06 F 0.06 L 0.03 C Shift Assignments>> C :: 170.848 CA :: 52.851 CB :: 38.658 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.379 HA :: 4.313 HB2 :: 2.753 HB3 :: 2.364 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 :: 115.784 Ave N Shift Values>> N :: 120.17(4.64) 1.H58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.58 H 0.31 W 0.09 C Shift Assignments>> C :: 172.073 CA :: 55.070 CB :: 26.476 CD2 :: 117.248 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 7.361 HA :: 4.337 HB2 :: 3.101 HB3 :: 2.945 HD2 :: 6.677 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 :: 117.841 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.F59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.91 W 0.07 C Shift Assignments>> C :: 171.734 CA :: 53.698 CB :: 35.792 CD1 :: 128.995 CE1 :: 128.068 CZ :: 126.494 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 7.669 HA :: 4.767 HB2 :: 2.828 HB3 :: 2.969 HD1 :: 7.101 HD2 :: 7.101 HE1 :: 6.972 HE2 :: 6.972 HZ :: 6.952 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 :: 117.854 Ave N Shift Values>> N :: 120.45(4.18) 1.V60 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.91 A 0.05 I 0.03 HN Overlap>> 1.C16 1.C16 C Shift Assignments>> C :: 172.177 CA :: 57.886 CB :: 31.442 CG1 :: 19.515 CG2 :: 15.354(S) 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 :: 7.497 HA :: 4.162 HB :: 2.096 HG11 :: 0.741 HG12 :: 0.741 HG13 :: 0.741 HG21 :: 0.775 HG22 :: 0.775 HG23 :: 0.775 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 :: 116.852 Ave N Shift Values>> N :: 121.14(4.54) 1.G61 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.28 F 0.19 L 0.13 Y 0.13 I 0.07 K 0.06 N 0.05 C 0.04 C Shift Assignments>> C :: 171.565 CA :: 40.920(S) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.186 HA2 :: 4.573 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 :: 108.968 Ave N Shift Values>> N :: 109.67(3.87) 1.C62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.75 L 0.15 C 0.02 R 0.02 D 0.02 C Shift Assignments>> C :: 170.887 CA :: 52.871 CB :: 44.994 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.755 HA :: 5.860 HB2 :: 2.895 HB3 :: 2.485 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 117.159 Ave N Shift Values>> N :: 120.17(4.64) 1.H63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.18 H 0.14 P 0.14 Q 0.11 W 0.09 K 0.09 R 0.08 M 0.04 L 0.04 E 0.03 C Shift Assignments>> CA :: 51.745 CB :: 28.932 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 :: 8.944 HA :: 4.818 HB2 :: 3.214 HB3 :: 3.031 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 118.373 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.H64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.43 H 0.4 W 0.16 C Shift Assignments>> C :: 171.916 CA :: 52.324 CB :: 27.428 CD2 :: 118.079 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>> HA :: 5.029 HB2 :: 3.204 HB3 :: 3.056 HD2 :: 7.162 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) 1.S65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 C 0.01 C Shift Assignments>> C :: 172.489 CA :: 55.229 CB :: 60.973 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.569 HA :: 4.455 HB2 :: 3.795 HB3 :: 3.896 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 :: 119.478 Ave N Shift Values>> N :: 116.28(3.52) 1.R66 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.52 C 0.32 K 0.13 C Shift Assignments>> C :: 173.896 CA :: 55.981 CB :: 27.323 CG :: 24.325 CD :: 40.497 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 :: 8.738 HA :: 4.047 HB2 :: 1.813 HB3 :: 1.813 HG2 :: 1.608 HG3 :: 1.608 HD2 :: 3.123 HD3 :: 3.123 HE :: 7.174 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 :: 123.146 NE :: 84.321 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.D67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.71 C 0.1 D 0.09 F 0.02 Y 0.02 L 0.01 C Shift Assignments>> C :: 173.036 CA :: 51.030 CB :: 38.236 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 :: 8.240 HA :: 4.554 HB2 :: 2.907 HB3 :: 2.698 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 :: 116.650 Ave N Shift Values>> N :: 120.65(3.86) 1.S68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 171.578 CA :: 56.594 CB :: 60.731 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.934 HA :: 4.015 HB2 :: 3.853 HB3 :: 3.730 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 111.972 Ave N Shift Values>> N :: 116.28(3.52) 1.E69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 Q 0.29 R 0.23 K 0.14 M 0.02 HN Overlap>> 1.N89 1.N89 C Shift Assignments>> C :: 173.127 CA :: 53.976 CB :: 27.167 CG :: 33.287 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 :: 8.314 HA :: 4.271 HB2 :: 1.996 HB3 :: 1.856 HG2 :: 2.093 HG3 :: 2.093 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 :: 120.093 Ave N Shift Values>> N :: 120.67(3.48) 1.H70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.48 C 0.39 W 0.12 C Shift Assignments>> C :: 171.539 CA :: 53.138 CB :: 28.653 CD2 :: 117.173 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 7.904 HA :: 4.831 HB2 :: 3.020 HB3 :: 3.020 HD2 :: 7.035 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 :: 117.367 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.T71 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Suspicious N Shifts: Consistent PRTL>> T 0.69 C 0.25 S 0.04 C Shift Assignments>> C :: 168.335(S) CA :: 59.460 CB :: 67.792 CG2 :: 20.750 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 :: 8.499 HA :: 4.382 HB :: 2.210(S) HG21 :: 0.706 HG22 :: 0.706 HG23 :: 0.706 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 :: 121.294 Ave N Shift Values>> N :: 115.42(4.75) 1.E72 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> P 0.4 C 0.15 H 0.11 R 0.08 M 0.07 W 0.06 Q 0.05 K 0.02 E 0.02 C Shift Assignments>> C :: 173.114 CA :: 51.316 CB :: 30.381 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 :: 8.234 HA :: 4.934 HB2 :: 1.648 HB3 :: 1.648 HG2 :: 1.409(S) HG3 :: 1.409(S) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 124.872 Ave N Shift Values>> N :: 120.67(3.48) 1.C73 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 D 0.03 C 0.03 C Shift Assignments>> C :: 170.275 CA :: 52.478 CB :: 44.695 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 9.268 HA :: 5.711 HB2 :: 2.923 HB3 :: 2.721 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 :: 123.751 Ave N Shift Values>> N :: 120.17(4.64) 1.R74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.64 K 0.29 R 0.04 C Shift Assignments>> C :: 172.567 CA :: 51.479 CB :: 32.424 CG :: 26.260 CD :: 40.879 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 :: 8.817 HA :: 5.712 HB2 :: 1.746 HB3 :: 1.821 HG2 :: 1.593 HG3 :: 1.593 HD2 :: 3.186 HD3 :: 3.069 HE :: 7.190 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 :: 121.308 NE :: 84.416 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.S75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.97 P 0.01 C Shift Assignments>> C :: 169.754 CA :: 53.925 CB :: 64.052 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.083 HA :: 4.768 HB2 :: 3.682 HB3 :: 4.012 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.924 Ave N Shift Values>> N :: 116.28(3.52) 1.C76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.89 L 0.06 C 0.03 C Shift Assignments>> C :: 169.715 CA :: 52.427 CB :: 46.621 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.445 HA :: 5.908 HB2 :: 3.073 HB3 :: 2.487 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 117.760 Ave N Shift Values>> N :: 120.17(4.64) 1.C77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.37 L 0.19 N 0.19 C 0.07 K 0.04 G 0.03 F 0.03 R 0.02 Y 0.01 C Shift Assignments>> C :: 168.908 CA :: 50.338 CB :: 41.788 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.928 HA :: 5.204 HB2 :: 3.438 HB3 :: 3.087 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 :: 115.991 Ave N Shift Values>> N :: 120.17(4.64) 1.E78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.31 C 0.28 M 0.21 K 0.13 E 0.04 HN Overlap>> 1.A10 1.A10 C Shift Assignments>> C :: 172.242 CA :: 51.983 CB :: 30.197 CG :: 34.055 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 :: 8.892 HA :: 4.800 HB2 :: 2.020 HB3 :: 1.844 HG2 :: 2.021 HG3 :: 2.146 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 :: 121.837 Ave N Shift Values>> N :: 120.67(3.48) 1.G79 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.28 F 0.2 Y 0.14 L 0.12 I 0.08 N 0.06 K 0.05 C 0.04 C Shift Assignments>> C :: 169.715 CA :: 40.809(S) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.144 HA2 :: 4.385 HA3 :: 3.480 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 114.578 Ave N Shift Values>> N :: 109.67(3.87) 1.M80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.8 A 0.1 M 0.09 C Shift Assignments>> C :: 173.896 CA :: 53.593 CB :: 29.507 CG :: 29.613 CE :: 14.446 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 :: 8.129 HA :: 4.350 HB2 :: 2.003 HB3 :: 2.110 HG2 :: 2.835 HG3 :: 2.622 HE1 :: 2.195 HE2 :: 2.195 HE3 :: 2.195 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 :: 118.658 Ave N Shift Values>> N :: 120.09(3.57) 1.I81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.96 I 0.03 C Shift Assignments>> C :: 172.281 CA :: 59.924 CB :: 34.689 CG1 :: 24.224 CG2 :: 15.668 CD1 :: 11.089 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 :: 9.244 HA :: 3.345 HB :: 1.649 HG12 :: 1.507 HG13 :: 0.405 HG21 :: 0.024 HG22 :: 0.024 HG23 :: 0.024 HD11 :: 0.599 HD12 :: 0.599 HD13 :: 0.599 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 118.658 Ave N Shift Values>> N :: 121.46(4.28) 1.C82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.35 D 0.21 F 0.11 Y 0.11 C 0.09 L 0.07 C Shift Assignments>> C :: 173.414 CA :: 54.181 CB :: 39.170 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.065 HA :: 4.349 HB2 :: 3.326 HB3 :: 2.678 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 :: 111.445 Ave N Shift Values>> N :: 120.17(4.64) 1.N83 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.84 C 0.05 M 0.03 H 0.01 R 0.01 K 0.01 C Shift Assignments>> C :: 171.981 CA :: 50.293 CB :: 32.667(S) 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 :: 9.031 HA :: 4.723 HB2 :: 3.040 HB3 :: 2.496 HD21 :: 6.025 HD22 :: 7.993 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 121.905 ND2 :: 110.341 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.V84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.84 V 0.08 I 0.06 C Shift Assignments>> C :: 173.857 CA :: 62.692 CB :: 30.259 CG1 :: 19.100 CG2 :: 17.770 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 :: 7.545 HA :: 3.366 HB :: 2.061 HG11 :: 0.941 HG12 :: 0.941 HG13 :: 0.941 HG21 :: 0.861 HG22 :: 0.861 HG23 :: 0.861 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 :: 120.708 Ave N Shift Values>> N :: 121.14(4.54) 1.E85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.27 C 0.21 Q 0.17 K 0.16 R 0.11 M 0.04 HN Overlap>> 1.H90 1.H90 C Shift Assignments>> C :: 172.971 CA :: 51.979 CB :: 28.150 CG :: 32.937 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 :: 8.307 HA :: 4.313 HB2 :: 1.685 HB3 :: 1.977 HG2 :: 2.242 HG3 :: 2.079 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 :: 118.964 Ave N Shift Values>> N :: 120.67(3.48) 1.L86 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.73 C 0.15 G 0.1 C Shift Assignments>> CA :: 48.970 CB :: 39.298 CG :: 23.041(S) CD1 :: 21.324 CD2 :: 22.049 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 :: 8.239 HA :: 4.426 HB2 :: 1.232 HB3 :: 1.232 HG :: 1.188 HD11 :: 0.342 HD12 :: 0.342 HD13 :: 0.342 HD21 :: 0.171 HD22 :: 0.171 HD23 :: 0.171 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 :: 118.861 Ave N Shift Values>> N :: 121.86(3.9) 1.P87 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.91 G 0.08 C Shift Assignments>> C :: 174.417 CA :: 60.420 CB :: 29.260 CG :: 24.658 CD :: 47.795 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 :: 4.430 HB2 :: 2.230 HB3 :: 1.871 HG2 :: 1.959 HG3 :: 1.959 HD2 :: 3.764 HD3 :: 3.567 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.T88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.48 C 0.37 T 0.08 A 0.05 C Shift Assignments>> C :: 171.643 CA :: 59.136 CB :: 67.009 CG2 :: 18.786 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 :: 8.063 HA :: 4.218 HB :: 4.140 HG21 :: 1.118 HG22 :: 1.118 HG23 :: 1.118 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 :: 113.257 Ave N Shift Values>> N :: 115.42(4.75) 1.N89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.46 C 0.31 M 0.09 E 0.02 Y 0.01 K 0.01 F 0.01 Q 0.01 P 0.01 HN Overlap>> 1.E69 1.E69 C Shift Assignments>> CA :: 50.484 CB :: 36.045 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 :: 8.262 HA :: 4.644 HB2 :: 2.880 HB3 :: 2.724 HD21 :: 7.523 HD22 :: 6.835 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 120.150 ND2 :: 112.552 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.H90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.36 R 0.2 C 0.14 Q 0.09 H 0.06 W 0.04 K 0.03 E 0.01 P 0.01 HN Overlap>> 1.E85 1.E85 C Shift Assignments>> C :: 171.916 CA :: 53.064 CB :: 26.915 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 :: 8.370 HA :: 4.555 HB2 :: 3.144 HB3 :: 3.198 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 :: 119.004 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.T91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.43 C 0.39 T 0.13 A 0.03 C Shift Assignments>> C :: 171.408 CA :: 59.320 CB :: 67.058 CG2 :: 19.008 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 :: 8.120 HA :: 4.270 HB :: 4.149 HG21 :: 1.120 HG22 :: 1.120 HG23 :: 1.120 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 115.052 Ave N Shift Values>> N :: 115.42(4.75) 1.N92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.49 C 0.3 M 0.09 E 0.02 Y 0.01 K 0.01 F 0.01 Q 0.01 C Shift Assignments>> C :: 171.929 CA :: 50.579 CB :: 36.135 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 :: 8.422 HA :: 4.678 HB2 :: 2.759 HB3 :: 2.759 HD21 :: 7.598 HD22 :: 6.798 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 120.877 ND2 :: 113.170 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.A93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.84 M 0.13 C Shift Assignments>> C :: 174.300 CA :: 49.734 CB :: 16.702 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.099 HA :: 4.221 HB1 :: 1.231 HB2 :: 1.231 HB3 :: 1.231 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.173 Ave N Shift Values>> N :: 123.23(3.54) 1.V94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.93 I 0.04 C Shift Assignments>> C :: 172.893 CA :: 59.457 CB :: 30.184 CG1 :: 17.686 CG2 :: 18.556 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 :: 7.857 HA :: 3.973 HB :: 1.877 HG11 :: 0.772 HG12 :: 0.772 HG13 :: 0.772 HG21 :: 0.724 HG22 :: 0.724 HG23 :: 0.724 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 :: 118.615 Ave N Shift Values>> N :: 121.14(4.54) 1.F95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.91 F 0.07 W 0.01 C Shift Assignments>> CA :: 54.609 CB :: 36.758 CD1 :: 128.627 CE1 :: 129.192 CZ :: 128.448 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 :: 8.162 HA :: 4.607 HB2 :: 3.097 HB3 :: 2.861 HD1 :: 7.224 HD2 :: 7.224 HE1 :: 7.165 HE2 :: 7.165 HZ :: 7.102 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 123.758 Ave N Shift Values>> N :: 120.45(4.18) 1.A96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.87 M 0.11 C Shift Assignments>> CA :: 50.943 CB :: 17.894 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.749 HA :: 4.049 HB1 :: 1.257 HB2 :: 1.257 HB3 :: 1.257 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 130.584 Ave N Shift Values>> N :: 123.23(3.54) ########################################################################### Overall Results: #Consistent: 79 #Clerical: 0 #Suspicious: 6 #Anomalous: 0 #Mistyped: 11 #Indeterminable: 0 Typing Results: #Consistent: 82 #Suspicious: 2 #Mistyped: 11 #Indeterminable: 1 Shift Relative Order (SRO) Results: #Consistent: 95 #Suspicious: 1 C Shift Results: #Consistent: 359 #Duplicate: 0 #Unknown: 0 #Suspicious: 14 #Anomalous: 0 H Shift Results: #Consistent: 589 #Duplicate: 0 #Unknown: 0 #Suspicious: 5 #Anomalous: 2 N Shift Results: #Consistent: 107 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.M1 C = 169.038(S), Expected = 176.18, Std = 2.0900, ChiSquare = 6.3263e-04 1.F2 C = 168.621(S), Expected = 175.42, Std = 1.9900, ChiSquare = 6.3412e-04 1.K3 Typing: Mistyped 1.K3 CD = 22.728(S), Expected = 28.96, Std = 1.0800, ChiSquare = 7.9097e-09 1.K3 CE = 37.650(S), Expected = 41.89, Std = 0.8200, ChiSquare = 2.3318e-07 1.K3 HD2 = 0.726(S), Expected = 1.61, Std = 0.2200, ChiSquare = 5.8649e-05 1.K3 HD3 = 0.635(S), Expected = 1.60, Std = 0.2200, ChiSquare = 1.1526e-05 1.K3 HE2 = 0.842(A), Expected = 2.92, Std = 0.1900, ChiSquare = 7.6830e-28 1.K3 HE3 = 1.176(A), Expected = 2.91, Std = 0.2000, ChiSquare = 4.3212e-18 1.K3 SRO Rule Break>> HE2 > HB2 : 0.997029997029997 1.K3 SRO Rule Break>> HE2 > HB3 : 0.995656220912194 1.K3 SRO Rule Break>> HE3 > HB3 : 0.997380484610347 1.K3 SRO Rule Break>> HE2 > HG2 : 0.998788612961841 1.F5 Typing: Suspicious 1.R18 Typing: Mistyped 1.R18 CD = 40.253(S), Expected = 43.16, Std = 0.8800, ChiSquare = 9.5517e-04 1.K23 Typing: Mistyped 1.K49 Typing: Suspicious 1.K49 CD = 23.703(S), Expected = 28.96, Std = 1.0800, ChiSquare = 1.1297e-06 1.K50 Typing: Mistyped 1.K50 CG = 19.731(S), Expected = 24.89, Std = 1.1300, ChiSquare = 4.9834e-06 1.K50 CE = 38.217(S), Expected = 41.89, Std = 0.8200, ChiSquare = 7.4899e-06 1.V60 Typing: Mistyped 1.V60 CG2 = 15.354(S), Expected = 21.26, Std = 1.5600, ChiSquare = 1.5315e-04 1.G61 Typing: Mistyped 1.G61 CA = 40.920(S), Expected = 45.35, Std = 1.3400, ChiSquare = 9.4648e-04 1.R66 Typing: Mistyped 1.T71 C = 168.335(S), Expected = 174.54, Std = 1.7600, ChiSquare = 4.2258e-04 1.T71 HB = 2.210(S), Expected = 4.17, Std = 0.3300, ChiSquare = 2.8608e-09 1.E72 HG2 = 1.409(S), Expected = 2.27, Std = 0.2100, ChiSquare = 4.1315e-05 1.E72 HG3 = 1.409(S), Expected = 2.25, Std = 0.2200, ChiSquare = 1.3198e-04 1.G79 Typing: Mistyped 1.G79 CA = 40.809(S), Expected = 45.35, Std = 1.3400, ChiSquare = 7.0198e-04 1.N83 Typing: Mistyped 1.N83 CB = 32.667(S), Expected = 38.69, Std = 1.6900, ChiSquare = 3.6538e-04 1.L86 Typing: Mistyped 1.L86 CG = 23.041(S), Expected = 26.78, Std = 1.1000, ChiSquare = 6.7610e-04 1.P87 Typing: Mistyped