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 0.41 L 0.3 G 0.08 D 0.06 F 0.05 K 0.03 Y 0.03 C Shift Assignments>> C :: 169.326 CA :: 43.431 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> HA2 :: 3.665 HA3 :: 3.781 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) 1.A2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.9 M 0.08 C Shift Assignments>> C :: 177.730 CA :: 52.590 CB :: 19.509 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.252 HA :: 4.336 HB1 :: 1.365 HB2 :: 1.365 HB3 :: 1.365 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 129.609 Ave N Shift Values>> N :: 123.23(3.54) 1.M3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.81 Q 0.15 K 0.02 C Shift Assignments>> C :: 176.640 CA :: 55.433 CB :: 32.141 CG :: 32.025 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 :: 8.526 HA :: 4.457 HB2 :: 2.001 HB3 :: 2.070 HG2 :: 2.533 HG3 :: 2.596 HE1 :: 1.611 HE2 :: 1.756 HE3 :: 1.611 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 :: 119.597 Ave N Shift Values>> N :: 120.09(3.57) 1.G4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.1 R 0.01 F 0.01 C Shift Assignments>> C :: 173.846 CA :: 45.289 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.388 HA2 :: 3.924 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.104 Ave N Shift Values>> N :: 109.67(3.87) 1.I5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 176.245 CA :: 60.706 CB :: 38.686 CG1 :: 27.238 CG2 :: 17.716 CD1 :: 12.919 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.995 HA :: 4.142 HB :: 1.824 HG12 :: 1.409 HG13 :: 1.135 HG21 :: 0.861 HG22 :: 0.861 HG23 :: 0.861 HD11 :: 0.813 HD12 :: 0.813 HD13 :: 0.813 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 120.177 Ave N Shift Values>> N :: 121.46(4.28) 1.R6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.76 K 0.14 G 0.08 C Shift Assignments>> C :: 174.908 CA :: 55.812 CB :: 30.829 CG :: 26.552 CD :: 43.202 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 :: 8.451 HA :: 4.347 HB2 :: 1.834 HB3 :: 1.725 HG2 :: 1.679 HG3 :: 1.598 HD2 :: 3.199 HD3 :: 3.149 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 :: 125.295 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.N7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.33 L 0.21 N 0.13 F 0.13 Y 0.1 K 0.07 C Shift Assignments>> C :: 175.993 CA :: 54.699 CB :: 40.744 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 :: 8.072 HA :: 4.483 HB2 :: 2.794 HB3 :: 2.758 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 125.979 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.S8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.402 CA :: 58.678 CB :: 63.735 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.363 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 120.939 Ave N Shift Values>> N :: 116.28(3.52) 1.D9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 L 0.23 K 0.11 F 0.11 N 0.09 Y 0.08 R 0.01 C Shift Assignments>> C :: 176.302 CA :: 54.667 CB :: 41.092 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 :: 8.334 HA :: 4.612 HB2 :: 2.675 HB3 :: 2.649 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 :: 122.169 Ave N Shift Values>> N :: 120.65(3.86) 1.S10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.338 CA :: 58.421 CB :: 63.749 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.130 HA :: 4.408 HB2 :: 4.409 HB3 :: 3.833 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 :: 115.330 Ave N Shift Values>> N :: 116.28(3.52) 1.V11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 175.837 CA :: 61.972 CB :: 32.508 CG1 :: 21.257 CG2 :: 20.722 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 :: 8.040 HA :: 4.088 HB :: 2.039 HG11 :: 0.880 HG12 :: 0.880 HG13 :: 0.880 HG21 :: 0.885 HG22 :: 0.885 HG23 :: 0.885 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 :: 121.719 Ave N Shift Values>> N :: 121.14(4.54) 1.K12 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 8.349 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 :: 126.544 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.P13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 177.038 CA :: 62.868 CB :: 32.182 CG :: 27.429 CD :: 50.695 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 :: 4.459 HB2 :: 2.272 HB3 :: 1.887 HG2 :: 1.982 HD2 :: 3.622 HD3 :: 3.812 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.T14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.477 CA :: 61.813 CB :: 69.675 CG2 :: 21.821 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 :: 8.234 HA :: 4.255 HB :: 4.160 HG21 :: 1.185 HG22 :: 1.185 HG23 :: 1.185 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 114.515 Ave N Shift Values>> N :: 115.42(4.75) 1.Q15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.42 K 0.35 M 0.1 E 0.08 R 0.03 C Shift Assignments>> C :: 175.452 CA :: 55.562 CB :: 29.535 CG :: 33.729 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 :: 8.380 HA :: 4.346 HB2 :: 1.936 HB3 :: 2.044 HG2 :: 2.297 HG3 :: 2.293 HE21 :: 6.881 HE22 :: 7.559 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 :: 122.586 NE2 :: 112.371 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Q16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.41 K 0.33 M 0.13 E 0.07 R 0.02 HN Overlap>> 1.K43 1.K43 C Shift Assignments>> C :: 175.050 CA :: 55.542 CB :: 29.726 CG :: 33.673 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 :: 8.457 HA :: 4.260 HB2 :: 1.982 HB3 :: 1.865 HG2 :: 2.271 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 :: 122.137 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.A17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.94 M 0.03 L 0.01 C Shift Assignments>> C :: 176.628 CA :: 51.712 CB :: 19.967 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.323 HA :: 4.311 HB1 :: 1.137 HB2 :: 1.137 HB3 :: 1.137 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.292 Ave N Shift Values>> N :: 123.23(3.54) 1.R18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.81 G 0.09 K 0.08 HN Overlap>> 1.S49 1.S49 C Shift Assignments>> CA :: 53.226 CB :: 30.775 CG :: 26.841 CD :: 42.965 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 :: 8.591 HA :: 4.621 HB2 :: 1.738 HB3 :: 1.625 HG2 :: 1.583 HD2 :: 3.089 HD3 :: 3.150 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 122.106 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.P19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 176.098 CA :: 62.961 CB :: 32.145 CG :: 27.088 CD :: 50.838 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 :: 4.584 HB2 :: 2.055 HB3 :: 1.626 HG2 :: 1.903 HG3 :: 1.903 HD2 :: 3.551 HD3 :: 3.736 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.T20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 172.413 CA :: 62.891 CB :: 71.036 CG2 :: 20.893 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 :: 9.046 HA :: 4.228 HB :: 3.717 HG21 :: 0.941 HG22 :: 0.941 HG23 :: 0.941 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 :: 121.694 Ave N Shift Values>> N :: 115.42(4.75) 1.V21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 175.345 CA :: 61.780 CB :: 32.259 CG1 :: 21.303 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 :: 8.572 HA :: 4.547 HB :: 1.902 HG11 :: 0.755 HG12 :: 0.755 HG13 :: 0.755 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 :: 127.141 Ave N Shift Values>> N :: 121.14(4.54) 1.I22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.98 A 0.01 C Shift Assignments>> C :: 173.794 CA :: 59.451 CB :: 39.664 CG1 :: 27.130 CG2 :: 18.549 CD1 :: 10.967 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.913 HA :: 4.293 HB :: 1.455 HG12 :: 0.967 HG13 :: 0.885 HG21 :: 0.936 HG22 :: 0.936 HG23 :: 0.936 HD11 :: 0.037 HD12 :: 0.037 HD13 :: 0.037 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 :: 130.341 Ave N Shift Values>> N :: 121.46(4.28) 1.R23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.46 G 0.28 K 0.24 C Shift Assignments>> C :: 174.125 CA :: 54.005 CB :: 34.584 CG :: 27.459 CD :: 43.282 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 :: 8.595 HA :: 5.509 HB2 :: 1.580 HB3 :: 1.685 HG2 :: 1.384 HG3 :: 1.472 HD2 :: 3.006 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 :: 125.596 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.W24 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> M 0.22 K 0.2 R 0.14 H 0.13 Q 0.1 W 0.09 E 0.07 V 0.01 C Shift Assignments>> C :: 177.208 CA :: 55.974 CB :: 32.407 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 :: 9.098 HA :: 4.787 HB2 :: 2.639 HB3 :: 2.837 HD1 :: 6.769 HE1 :: 10.143 HE3 :: 5.854(S) HZ2 :: 7.233 HZ3 :: 6.322 HH2 :: 6.947 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 123.124 NE1 :: 129.392 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.S25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 58.442 CB :: 63.993 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.837 HA :: 4.827 HB2 :: 3.605 HB3 :: 3.720 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 :: 123.623 Ave N Shift Values>> N :: 116.28(3.52) 1.E26 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> Q 0.33 E 0.3 K 0.27 M 0.06 R 0.01 I 0.01 C Shift Assignments>> C :: 175.915 CA :: 55.264 CB :: 29.284 CG :: 35.053 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>> HA :: 4.141 HB2 :: 2.050 HB3 :: 0.957(S) HG2 :: 1.622 HG3 :: 1.378(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) 1.G27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.61 L 0.22 R 0.09 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> C :: 173.380 CA :: 44.632 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.434 HA2 :: 3.957 HA3 :: 4.264 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.186 Ave N Shift Values>> N :: 109.67(3.87) 1.G28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.37 L 0.31 G 0.14 D 0.05 F 0.05 Y 0.02 K 0.01 C Shift Assignments>> C :: 172.572 CA :: 43.697 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.948 HA2 :: 4.067 HA3 :: 3.756 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.478 Ave N Shift Values>> N :: 109.67(3.87) 1.K29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.83 R 0.15 C Shift Assignments>> C :: 177.173 CA :: 57.951 CB :: 33.835 CG :: 25.201 CD :: 29.073 CE :: 41.814 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 :: 10.077 HA :: 4.615 HB2 :: 1.908 HB3 :: 1.908 HG2 :: 1.490 HG3 :: 1.398 HD2 :: 1.652 HD3 :: 1.661 HE2 :: 2.959 HE3 :: 2.950 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.742 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.51 M 0.46 Q 0.01 C Shift Assignments>> C :: 173.541 CA :: 55.980 CB :: 32.473 CG :: 36.831 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 :: 8.810 HA :: 4.197 HB2 :: 1.915 HB3 :: 1.976 HG2 :: 2.086 HG3 :: 2.130 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 :: 121.578 Ave N Shift Values>> N :: 120.67(3.48) 1.V31 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> V 0.98 HN Overlap>> 1.L59 1.L59 C Shift Assignments>> C :: 173.552 CA :: 61.235 CB :: 35.261 CG1 :: 22.545 CG2 :: 19.834 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 :: 7.704 HA :: 4.540 HB :: 0.838(S) HG11 :: 0.353 HG12 :: 0.353 HG13 :: 0.353 HG21 :: -0.416(S) HG22 :: -0.416(S) HG23 :: -0.416(S) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 124.182 Ave N Shift Values>> N :: 121.14(4.54) 1.F32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.35 G 0.3 R 0.2 D 0.06 F 0.03 Y 0.02 C Shift Assignments>> C :: 174.872 CA :: 54.985 CB :: 44.349 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 :: 8.856 HA :: 5.567 HB2 :: 2.808 HB3 :: 2.750 HD1 :: 7.009 HD2 :: 7.009 HE1 :: 7.340 HE2 :: 7.340 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 :: 123.930 Ave N Shift Values>> N :: 120.45(4.18) 1.I33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.6 G 0.37 A 0.01 C Shift Assignments>> C :: 174.067 CA :: 59.509 CB :: 43.294 CG1 :: 27.969 CG2 :: 17.481 CD1 :: 15.331 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 :: 9.316 HA :: 5.480 HB :: 1.672 HG12 :: 1.434 HG13 :: 0.963 HG21 :: 0.776 HG22 :: 0.949 HG23 :: 0.776 HD11 :: 0.411 HD12 :: 0.785 HD13 :: 0.411 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 :: 116.493 Ave N Shift Values>> N :: 121.46(4.28) 1.S34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.5 S 0.49 C Shift Assignments>> C :: 170.691 CA :: 57.343 CB :: 67.249 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.518 HA :: 4.496 HB2 :: 3.804 HB3 :: 3.869 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 :: 116.962 Ave N Shift Values>> N :: 116.28(3.52) 1.G35 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.79 L 0.13 R 0.02 F 0.01 C Shift Assignments>> C :: 172.451 CA :: 45.061 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.200 HA2 :: 3.272 HA3 :: 1.593(S) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.806 Ave N Shift Values>> N :: 109.67(3.87) 1.S36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.094 CA :: 60.882 CB :: 61.978 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.952 HA :: 3.388 HB2 :: 4.259 HB3 :: 3.897 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 :: 115.550 Ave N Shift Values>> N :: 116.28(3.52) 1.F37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.3 F 0.22 E 0.16 N 0.09 I 0.08 M 0.04 D 0.04 L 0.02 C Shift Assignments>> C :: 175.254 CA :: 56.756 CB :: 37.763 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 :: 6.475 HA :: 4.461 HB2 :: 2.947 HB3 :: 2.550 HD1 :: 6.723 HD2 :: 6.723 HE1 :: 6.824 HE2 :: 6.824 HZ :: 6.580 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 :: 118.633 Ave N Shift Values>> N :: 120.45(4.18) 1.N38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.8 D 0.04 M 0.04 Y 0.03 F 0.03 E 0.02 C Shift Assignments>> C :: 175.954 CA :: 51.281 CB :: 37.201 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 :: 6.610 HA :: 4.940 HB2 :: 3.141 HB3 :: 2.593 HD21 :: 6.312 HD22 :: 7.509 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 :: 119.885 ND2 :: 106.420 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.N39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.3 E 0.23 Y 0.14 M 0.1 F 0.1 D 0.03 K 0.02 I 0.01 L 0.01 C Shift Assignments>> C :: 173.171 CA :: 54.788 CB :: 36.994 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 :: 7.822 HA :: 4.310 HB2 :: 3.091 HB3 :: 2.708 HD21 :: 6.875 HD22 :: 7.530 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 :: 117.264 ND2 :: 112.236 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.W40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.49 L 0.33 R 0.06 I 0.03 Q 0.02 W 0.01 H 0.01 C Shift Assignments>> C :: 177.457 CA :: 57.585 CB :: 24.787 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 :: 8.300 HA :: 4.001 HB2 :: 3.160 HB3 :: 3.086 HD1 :: 6.836 HE1 :: 10.089 HE3 :: 7.017 HZ2 :: 7.080 HZ3 :: 6.471 HH2 :: 6.623 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 :: 113.463 NE1 :: 128.835 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.S41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.913 CA :: 60.460 CB :: 64.591 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.549 HA :: 4.216 HB2 :: 3.905 HB3 :: 3.905 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 :: 113.321 Ave N Shift Values>> N :: 116.28(3.52) 1.T42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.798 CA :: 59.920 CB :: 71.457 CG2 :: 21.049 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 :: 7.088 HA :: 4.576 HB :: 3.993 HG21 :: 1.094 HG22 :: 1.094 HG23 :: 1.094 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 :: 112.097 Ave N Shift Values>> N :: 115.42(4.75) 1.K43 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.98 HN Overlap>> 1.Q16 1.Q16 C Shift Assignments>> C :: 174.839 CA :: 55.293 CB :: 33.338 CG :: 24.705 CD :: 29.104 CE :: 40.419 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 :: 8.466 HA :: 4.672 HB2 :: 1.386 HB3 :: 1.215 HG2 :: 1.290 HG3 :: 0.891 HD2 :: 0.603(S) HD3 :: 0.603(S) HE2 :: 1.886(S) HE3 :: 1.362(S) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 122.104 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) SRO Rule Breaks>> (HE3 > HB2 : 0.9970) 1.I44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.98 A 0.01 C Shift Assignments>> CA :: 58.572 CB :: 40.104 CG2 :: 16.380 CD1 :: 14.590 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 :: 9.596 HA :: 4.628 HB :: 1.918 HG12 :: 1.560 HG21 :: 1.144 HG22 :: 1.144 HG23 :: 1.144 HD11 :: 0.899 HD12 :: 0.899 HD13 :: 0.899 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 :: 128.655 Ave N Shift Values>> N :: 121.46(4.28) 1.P45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 174.315 CA :: 62.731 CB :: 32.246 CG :: 27.177 CD :: 51.082 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 :: 4.305 HB2 :: 1.779 HB3 :: 2.084 HG2 :: 2.148 HG3 :: 2.236 HD2 :: 3.969 HD3 :: 4.127 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.L46 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.83 K 0.1 G 0.05 C Shift Assignments>> CA :: 55.553 CB :: 42.810 CG :: 31.356(S) CD1 :: 25.298 CD2 :: 26.212 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 :: 8.157 HA :: 4.513 HB2 :: 1.776 HB3 :: 1.209 HG :: 1.668 HD11 :: 0.866 HD12 :: 0.866 HD13 :: 0.866 HD21 :: 0.824 HD22 :: 0.824 HD23 :: 0.824 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.198 Ave N Shift Values>> N :: 121.86(3.9) 1.I47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> I 0.99 C Shift Assignments>> C :: 175.903 CA :: 59.414 CB :: 39.396 CG1 :: 27.430 CG2 :: 18.133 CD1 :: 12.574 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 :: 4.350 HB :: 1.836 HG12 :: 1.309 HG13 :: 1.433 HG21 :: 0.874 HG22 :: 0.874 HG23 :: 0.874 HD11 :: 0.788 HD12 :: 0.788 HD13 :: 0.788 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.K48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.77 R 0.22 C Shift Assignments>> C :: 176.252 CA :: 56.702 CB :: 32.596 CG :: 24.598 CD :: 28.626 CE :: 41.755 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 :: 8.661 HA :: 3.906 HB2 :: 1.560 HB3 :: 1.233 HG2 :: 0.579 HG3 :: 0.949 HD2 :: 1.239 HD3 :: 1.239 HE2 :: 2.806 HE3 :: 2.719 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 :: 128.033 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.S49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.R18 1.R18 C Shift Assignments>> CA :: 56.282 CB :: 62.849 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.638 HA :: 4.367 HB2 :: 3.497 HB3 :: 3.497 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 122.194 Ave N Shift Values>> N :: 116.28(3.52) 1.H50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> R 0.17 Q 0.15 W 0.13 K 0.13 E 0.1 H 0.1 I 0.09 L 0.07 M 0.01 C Shift Assignments>> CA :: 57.984 CB :: 27.897 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 :: 4.042 HB2 :: 3.182 HB3 :: 3.333 HD2 :: 7.002 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.N51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.45 D 0.23 F 0.1 Y 0.1 L 0.07 C Shift Assignments>> C :: 174.091 CA :: 53.776 CB :: 39.134 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>> HA :: 4.715 HB2 :: 2.870 HB3 :: 2.645 HD21 :: 6.856 HD22 :: 7.584 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>> ND2 :: 113.624 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.D52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.36 R 0.24 D 0.15 G 0.13 F 0.03 K 0.02 Y 0.02 N 0.01 HN Overlap>> 1.E63 1.E63 C Shift Assignments>> C :: 174.069 CA :: 53.544 CB :: 43.556 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 :: 8.031 HA :: 4.962 HB2 :: 2.605 HB3 :: 2.518 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 119.149 Ave N Shift Values>> N :: 120.65(3.86) 1.F53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.27 L 0.19 F 0.17 Y 0.13 D 0.09 R 0.09 I 0.02 C Shift Assignments>> C :: 175.583 CA :: 57.372 CB :: 41.891 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 :: 8.534 HA :: 5.150 HB2 :: 2.859 HB3 :: 2.958 HD1 :: 7.096 HD2 :: 7.096 HE1 :: 7.203 HE2 :: 7.203 HZ :: 6.767 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 :: 118.169 Ave N Shift Values>> N :: 120.45(4.18) 1.V54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.81 I 0.14 M 0.01 C Shift Assignments>> CA :: 60.134 CB :: 36.749 CG1 :: 21.485 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 :: 9.324 HA :: 5.325 HB :: 1.863 HG11 :: 0.805 HG12 :: 0.805 HG13 :: 0.805 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 :: 118.983 Ave N Shift Values>> N :: 121.14(4.54) 1.A55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> A 0.84 L 0.15 C Shift Assignments>> C :: 174.786 CA :: 50.887 CB :: 21.688 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> HA :: 4.707 HB1 :: 1.190 HB2 :: 1.190 HB3 :: 1.190 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) 1.I56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> 1.T84 1.T84 C Shift Assignments>> C :: 175.419 CA :: 60.922 CB :: 38.491 CG1 :: 27.766 CG2 :: 17.987 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.239 HA :: 4.552 HB :: 1.617 HG12 :: 1.409 HG21 :: 0.631 HG22 :: 0.631 HG23 :: 0.631 HD11 :: 0.763 HD12 :: 0.763 HD13 :: 0.763 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 120.457 Ave N Shift Values>> N :: 121.46(4.28) 1.L57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.64 L 0.32 A 0.02 C Shift Assignments>> C :: 175.108 CA :: 52.742 CB :: 45.170 CG :: 26.677 CD1 :: 25.859 CD2 :: 23.657 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 :: 8.828 HA :: 4.506 HB2 :: 0.762 HB3 :: 1.059 HG :: 1.119 HD11 :: 0.099 HD12 :: 0.099 HD13 :: 0.099 HD21 :: 0.443 HD22 :: 0.443 HD23 :: 0.443 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 127.392 Ave N Shift Values>> N :: 121.86(3.9) 1.D58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.44 D 0.3 L 0.09 F 0.07 Y 0.06 C Shift Assignments>> C :: 175.066 CA :: 52.941 CB :: 39.707 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.571 HA :: 4.628 HB2 :: 2.360 HB3 :: 2.360 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 :: 124.255 Ave N Shift Values>> N :: 120.65(3.86) 1.L59 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.56 A 0.22 G 0.2 HN Overlap>> 1.V31 1.V31 C Shift Assignments>> CA :: 50.873 CB :: 43.034 CG :: 25.767 CD1 :: 24.725 CD2 :: 22.428 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 :: 7.681 HA :: 4.535 HB2 :: 0.680 HB3 :: 1.512 HG :: 0.969 HD11 :: 0.177 HD12 :: 0.177 HD13 :: 0.177 HD21 :: -0.322(S) HD22 :: -0.322(S) HD23 :: -0.322(S) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 124.092 Ave N Shift Values>> N :: 121.86(3.9) 1.P60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 175.599 CA :: 61.482 CB :: 32.668 CG :: 27.047 CD :: 50.348 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 :: 4.601 HB2 :: 2.070 HB3 :: 2.315 HG2 :: 2.101 HG3 :: 2.018 HD2 :: 3.225 HD3 :: 3.784 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.E61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.66 M 0.11 I 0.08 K 0.07 Q 0.04 C Shift Assignments>> C :: 176.121 CA :: 57.458 CB :: 30.249 CG :: 36.591 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 :: 8.500 HA :: 3.859 HB2 :: 1.933 HB3 :: 1.933 HG2 :: 2.150 HG3 :: 2.361 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.164 Ave N Shift Values>> N :: 120.67(3.48) 1.G62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.41 L 0.3 G 0.09 D 0.06 F 0.05 Y 0.03 K 0.03 C Shift Assignments>> C :: 171.313 CA :: 43.469 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.845 HA2 :: 4.299 HA3 :: 3.664 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.529 Ave N Shift Values>> N :: 109.67(3.87) 1.E63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.59 M 0.36 Q 0.02 K 0.01 I 0.01 HN Overlap>> 1.D52 1.D52 C Shift Assignments>> C :: 175.530 CA :: 54.978 CB :: 31.383 CG :: 36.910 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 :: 8.015 HA :: 4.782 HB2 :: 1.737 HB3 :: 1.737 HG2 :: 1.848 HG3 :: 1.741 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.100 Ave N Shift Values>> N :: 120.67(3.48) 1.H64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.3 Q 0.28 K 0.19 H 0.05 R 0.05 E 0.05 W 0.02 C Shift Assignments>> C :: 174.358 CA :: 54.970 CB :: 34.109 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 :: 8.830 HA :: 4.817 HB2 :: 2.902 HB3 :: 2.855 HD2 :: 6.677 HE1 :: 7.590 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 :: 121.786 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.Q65 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> M 0.69 Q 0.17 E 0.12 C Shift Assignments>> C :: 175.833 CA :: 53.833 CB :: 32.265 CG :: 34.685 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 :: 8.637 HA :: 5.761(S) HB2 :: 2.288 HB3 :: 1.955 HG2 :: 2.222 HG3 :: 2.628 HE21 :: 6.827 HE22 :: 7.627 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 :: 121.667 NE2 :: 111.538 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Y66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.25 Y 0.22 L 0.17 D 0.15 K 0.11 I 0.03 N 0.02 C Shift Assignments>> C :: 171.751 CA :: 56.983 CB :: 40.730 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 :: 8.894 HA :: 5.175 HB2 :: 2.873 HB3 :: 2.900 HD1 :: 6.416 HD2 :: 6.416 HE1 :: 6.695 HE2 :: 6.695 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 116.908 Ave N Shift Values>> N :: 120.52(4.2) 1.K67 Overall: Suspicious Typing: Suspicious SRO: Consistent C Shifts: Suspicious H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.94 G 0.05 C Shift Assignments>> C :: 173.317 CA :: 56.876 CB :: 37.200 CG :: 29.500(S) CD :: 28.012 CE :: 42.799 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 :: 8.927 HA :: 4.633 HB2 :: 2.332 HB3 :: 2.332 HG2 :: 2.276(S) HG3 :: 1.887 HD2 :: 1.872 HD3 :: 2.175 HE2 :: 2.791 HE3 :: 3.046 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 118.307 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.F68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.2 F 0.2 L 0.19 Y 0.16 D 0.14 R 0.02 I 0.02 N 0.01 C Shift Assignments>> C :: 173.861 CA :: 56.948 CB :: 41.272 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 :: 8.436 HA :: 5.531 HB2 :: 2.683 HB3 :: 2.284 HD1 :: 7.180 HD2 :: 7.180 HE1 :: 7.536 HE2 :: 7.536 HZ :: 7.774 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 :: 118.691 Ave N Shift Values>> N :: 120.45(4.18) 1.F69 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> D 0.25 F 0.22 Y 0.19 L 0.16 N 0.1 K 0.03 I 0.02 C Shift Assignments>> C :: 174.574 CA :: 55.836 CB :: 40.156 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 :: 9.000 HA :: 4.723 HB2 :: 2.372 HB3 :: 1.082(S) HD1 :: 5.665(S) HD2 :: 5.665(S) HE1 :: 6.732 HE2 :: 6.732 HZ :: 6.888 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 :: 125.718 Ave N Shift Values>> N :: 120.45(4.18) 1.V70 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.H95 1.H95 C Shift Assignments>> C :: 175.641 CA :: 60.508 CB :: 33.470 CG1 :: 20.474 CG2 :: 20.185 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 :: 8.688 HA :: 4.323 HB :: 1.518 HG11 :: 0.621 HG12 :: 0.621 HG13 :: 0.621 HG21 :: -0.260(S) HG22 :: -0.260(S) HG23 :: -0.260(S) 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 :: 126.808 Ave N Shift Values>> N :: 121.14(4.54) 1.D71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.23 F 0.22 Y 0.21 N 0.16 L 0.12 I 0.02 C Shift Assignments>> C :: 176.119 CA :: 55.649 CB :: 39.629 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 :: 8.890 HA :: 4.235 HB2 :: 2.696 HB3 :: 2.499 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 :: 128.747 Ave N Shift Values>> N :: 120.65(3.86) 1.G72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.85 L 0.1 R 0.01 F 0.01 C Shift Assignments>> C :: 173.149 CA :: 45.255 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.437 HA2 :: 3.849 HA3 :: 2.923 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 100.856 Ave N Shift Values>> N :: 109.67(3.87) 1.Q73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.77 Q 0.19 K 0.01 C Shift Assignments>> C :: 173.981 CA :: 53.285 CB :: 31.910 CG :: 32.938 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 :: 6.923 HA :: 4.480 HB2 :: 1.956 HB3 :: 1.731 HG2 :: 2.213 HG3 :: 2.134 HE21 :: 6.819 HE22 :: 7.526 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 :: 117.716 NE2 :: 111.984 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.W74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.16 E 0.16 W 0.15 Q 0.15 R 0.15 K 0.11 M 0.06 I 0.01 C Shift Assignments>> C :: 177.239 CA :: 56.788 CB :: 29.918 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 :: 8.836 HA :: 5.813 HB2 :: 3.064 HB3 :: 3.291 HD1 :: 7.476 HE1 :: 10.036 HE3 :: 7.687 HZ2 :: 7.054 HZ3 :: 6.946 HH2 :: 7.003 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 123.738 NE1 :: 130.187 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.V75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.98 C Shift Assignments>> C :: 172.903 CA :: 60.625 CB :: 36.654 CG1 :: 22.447 CG2 :: 21.002 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 :: 10.049 HA :: 4.986 HB :: 2.309 HG11 :: 0.907 HG12 :: 0.907 HG13 :: 0.907 HG21 :: 0.774 HG22 :: 0.774 HG23 :: 0.774 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 :: 121.900 Ave N Shift Values>> N :: 121.14(4.54) 1.H76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.29 K 0.19 Q 0.16 H 0.11 R 0.11 W 0.06 E 0.03 C Shift Assignments>> C :: 173.084 CA :: 54.260 CB :: 32.807 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 :: 7.758 HA :: 5.578 HB2 :: 3.198 HB3 :: 2.807 HD2 :: 6.513 HE1 :: 7.802 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 :: 119.400 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.D77 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> D 0.36 L 0.24 N 0.12 G 0.09 R 0.06 K 0.05 F 0.03 Y 0.01 C Shift Assignments>> CA :: 50.464 CB :: 42.269 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 :: 10.717(S) HA :: 5.104 HB2 :: 3.283 HB3 :: 2.980 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 121.057 Ave N Shift Values>> N :: 120.65(3.86) 1.P78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 177.387 CA :: 63.597 CB :: 32.326 CG :: 26.780 CD :: 50.960 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 :: 4.535 HB2 :: 2.083 HB3 :: 2.299 HG2 :: 1.908 HG3 :: 1.814 HD2 :: 3.998 HD3 :: 3.817 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.S79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.819 CA :: 59.369 CB :: 63.875 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.853 HA :: 4.477 HB2 :: 3.861 HB3 :: 3.999 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 :: 116.058 Ave N Shift Values>> N :: 116.28(3.52) 1.E80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.35 Q 0.27 E 0.26 K 0.09 C Shift Assignments>> CA :: 53.401 CB :: 30.620 CG :: 35.123 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 :: 7.332 HA :: 4.959 HB2 :: 1.809 HB3 :: 2.636 HG2 :: 2.226 HG3 :: 2.700 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 122.620 Ave N Shift Values>> N :: 120.67(3.48) 1.P81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> I 0.85 W 0.05 V 0.04 P 0.01 C Shift Assignments>> C :: 177.020 CA :: 63.696 CB :: 28.219 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 :: 4.439 HB2 :: 2.364 HB3 :: 2.062 HG2 :: 2.199 HG3 :: 2.446 HD2 :: 4.015 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.V82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.45 A 0.3 V 0.23 C Shift Assignments>> C :: 175.787 CA :: 58.599 CB :: 36.758 CG1 :: 22.771 CG2 :: 17.929 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 :: 8.221 HA :: 5.467 HB :: 1.934 HG11 :: 0.851 HG12 :: 0.851 HG13 :: 0.851 HG21 :: 0.770 HG22 :: 0.770 HG23 :: 0.770 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 114.720 Ave N Shift Values>> N :: 121.14(4.54) 1.V83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 173.384 CA :: 59.533 CB :: 35.305 CG1 :: 20.964 CG2 :: 20.696 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 :: 8.898 HA :: 4.410 HB :: 1.955 HG11 :: 0.780 HG12 :: 0.780 HG13 :: 0.780 HG21 :: 0.833 HG22 :: 0.833 HG23 :: 0.833 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 :: 117.999 Ave N Shift Values>> N :: 121.14(4.54) 1.T84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 HN Overlap>> 1.I56 1.I56 C Shift Assignments>> C :: 174.975 CA :: 61.446 CB :: 68.959 CG2 :: 21.248 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 :: 8.309 HA :: 4.751 HB :: 3.905 HG21 :: 1.105 HG22 :: 1.105 HG23 :: 1.105 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 :: 120.469 Ave N Shift Values>> N :: 115.42(4.75) 1.S85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 57.027 CB :: 65.264 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.137 HA :: 4.533 HB2 :: 4.145 HB3 :: 3.763 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 :: 123.544 Ave N Shift Values>> N :: 116.28(3.52) 1.Q86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> Q 0.38 K 0.35 R 0.14 E 0.06 M 0.02 I 0.02 C Shift Assignments>> C :: 176.451 CA :: 58.070 CB :: 28.135 CG :: 33.663 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 :: 4.092 HB2 :: 2.047 HG2 :: 2.372 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) 1.L87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.88 A 0.09 R 0.01 C Shift Assignments>> C :: 177.470 CA :: 54.650 CB :: 41.676 CG :: 26.996 CD1 :: 22.787 CD2 :: 24.738 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 :: 7.692 HA :: 4.259 HB2 :: 1.554 HB3 :: 1.404 HG :: 1.448 HD11 :: 0.699 HD12 :: 0.699 HD13 :: 0.699 HD21 :: 0.682 HD22 :: 0.682 HD23 :: 0.682 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 117.032 Ave N Shift Values>> N :: 121.86(3.9) 1.G88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.85 L 0.1 R 0.01 F 0.01 C Shift Assignments>> C :: 174.029 CA :: 45.262 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.932 HA2 :: 4.127 HA3 :: 3.469 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.770 Ave N Shift Values>> N :: 109.67(3.87) 1.T89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 172.837 CA :: 60.743 CB :: 69.845 CG2 :: 21.923 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 :: 7.148 HA :: 4.259 HB :: 3.895 HG21 :: 0.877 HG22 :: 0.877 HG23 :: 0.877 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 :: 112.596 Ave N Shift Values>> N :: 115.42(4.75) 1.I90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 175.007 CA :: 60.551 CB :: 38.935 CG1 :: 27.392 CG2 :: 16.847 CD1 :: 12.889 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.514 HA :: 4.410 HB :: 1.338 HG12 :: 0.882 HG13 :: 1.357 HG21 :: 0.130 HG22 :: 0.130 HG23 :: 0.130 HD11 :: 0.619 HD12 :: 0.619 HD13 :: 0.619 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 123.927 Ave N Shift Values>> N :: 121.46(4.28) 1.N91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.37 L 0.25 N 0.13 K 0.06 R 0.06 G 0.04 F 0.03 Y 0.01 C Shift Assignments>> C :: 175.916 CA :: 50.976 CB :: 42.176 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 :: 8.497 HA :: 5.287 HB2 :: 3.096 HB3 :: 2.366 HD21 :: 6.366 HD22 :: 7.764 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 :: 123.450 ND2 :: 110.237 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.N92 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.27 D 0.26 K 0.18 F 0.09 Y 0.06 R 0.05 N 0.04 C Shift Assignments>> C :: 173.765 CA :: 54.812 CB :: 41.743 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 :: 8.721 HA :: 5.611 HB2 :: 2.404 HB3 :: 1.122(S) HD21 :: 7.047 HD22 :: 8.126 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 :: 115.675 ND2 :: 108.312 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.58 L 0.38 A 0.02 C Shift Assignments>> C :: 175.864 CA :: 53.522 CB :: 47.123 CG :: 27.410 CD1 :: 24.605 CD2 :: 25.619 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 :: 7.661 HA :: 5.337 HB2 :: 1.425 HB3 :: 1.218 HG :: 1.299 HD11 :: 0.777 HD12 :: 0.777 HD13 :: 0.777 HD21 :: 0.769 HD22 :: 0.769 HD23 :: 0.769 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.001 Ave N Shift Values>> N :: 121.86(3.9) 1.I94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.95 G 0.03 C Shift Assignments>> C :: 172.078 CA :: 59.351 CB :: 42.091 CG1 :: 29.318 CG2 :: 16.721 CD1 :: 14.675 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 :: 9.282 HA :: 4.847 HB :: 2.085 HG12 :: 1.673 HG13 :: 1.016 HG21 :: 0.932 HG22 :: 0.932 HG23 :: 0.932 HD11 :: 0.771 HD12 :: 0.771 HD13 :: 0.771 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 :: 124.682 Ave N Shift Values>> N :: 121.46(4.28) 1.H95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.21 H 0.18 R 0.17 K 0.12 W 0.11 Q 0.09 E 0.08 HN Overlap>> 1.V70 1.V70 C Shift Assignments>> C :: 174.655 CA :: 54.334 CB :: 31.399 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 :: 8.690 HA :: 5.110 HB2 :: 3.090 HB3 :: 2.923 HD2 :: 6.863 HE1 :: 7.979 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 :: 126.782 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.V96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 175.515 CA :: 62.502 CB :: 32.332 CG1 :: 21.122 CG2 :: 22.256 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 :: 9.082 HA :: 4.115 HB :: 2.392 HG11 :: 0.785 HG12 :: 0.785 HG13 :: 0.785 HG21 :: 0.956 HG22 :: 0.956 HG23 :: 0.956 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 :: 128.616 Ave N Shift Values>> N :: 121.14(4.54) 1.K97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.9 R 0.07 C Shift Assignments>> C :: 176.019 CA :: 55.091 CB :: 34.588 CG :: 24.717 CD :: 28.968 CE :: 41.706 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 :: 8.708 HA :: 4.550 HB2 :: 1.777 HB3 :: 1.613 HG2 :: 1.244 HG3 :: 1.244 HD2 :: 1.571 HD3 :: 1.545 HE2 :: 2.822 HE3 :: 2.822 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 :: 128.692 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.85 R 0.13 C Shift Assignments>> C :: 176.947 CA :: 57.232 CB :: 32.849 CG :: 24.715 CD :: 29.095 CE :: 41.707 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 :: 8.717 HA :: 4.122 HB2 :: 1.751 HB3 :: 1.647 HG2 :: 1.392 HG3 :: 1.392 HD2 :: 1.647 HD3 :: 1.647 HE2 :: 2.951 HE3 :: 2.951 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 122.635 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.S99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.335 CA :: 58.240 CB :: 63.664 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.393 HA :: 4.357 HB2 :: 3.732 HB3 :: 3.732 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 :: 116.737 Ave N Shift Values>> N :: 116.28(3.52) 1.D100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 L 0.22 F 0.12 N 0.1 K 0.1 Y 0.1 C Shift Assignments>> C :: 175.823 CA :: 54.813 CB :: 40.938 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 :: 8.288 HA :: 4.526 HB2 :: 2.511 HB3 :: 2.485 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 :: 122.287 Ave N Shift Values>> N :: 120.65(3.86) 1.F101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.33 F 0.33 D 0.09 I 0.09 L 0.08 N 0.03 C Shift Assignments>> C :: 175.279 CA :: 57.462 CB :: 39.557 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 :: 7.923 HA :: 4.575 HB2 :: 2.954 HB3 :: 3.133 HD1 :: 7.210 HD2 :: 7.210 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 :: 118.668 Ave N Shift Values>> N :: 120.45(4.18) 1.E102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.61 M 0.2 Q 0.08 K 0.06 I 0.02 C Shift Assignments>> C :: 175.388 CA :: 56.308 CB :: 30.585 CG :: 36.279 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 :: 8.138 HA :: 4.180 HB2 :: 1.815 HG2 :: 2.017 HG3 :: 2.092 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 122.081 Ave N Shift Values>> N :: 120.67(3.48) 1.V103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.98 C Shift Assignments>> C :: 175.359 CA :: 61.673 CB :: 33.098 CG1 :: 20.897 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 :: 7.934 HA :: 4.024 HB :: 1.924 HG11 :: 0.817 HG12 :: 0.817 HG13 :: 0.817 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 :: 120.545 Ave N Shift Values>> N :: 121.14(4.54) 1.F104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.31 Y 0.29 D 0.13 L 0.11 I 0.06 N 0.04 K 0.02 C Shift Assignments>> C :: 174.530 CA :: 57.140 CB :: 39.964 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 :: 8.340 HA :: 4.695 HB2 :: 3.206 HB3 :: 2.873 HD1 :: 7.212 HD2 :: 7.212 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 :: 124.359 Ave N Shift Values>> N :: 120.45(4.18) 1.D105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.27 K 0.21 D 0.16 R 0.15 F 0.1 Y 0.06 N 0.01 C Shift Assignments>> CA :: 55.756 CB :: 42.281 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 :: 7.950 HA :: 4.357 HB2 :: 2.618 HB3 :: 2.537 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 127.042 Ave N Shift Values>> N :: 120.65(3.86) ########################################################################### Overall Results: #Consistent: 92 #Clerical: 0 #Suspicious: 13 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 103 #Suspicious: 1 #Mistyped: 0 #Indeterminable: 1 Shift Relative Order (SRO) Results: #Consistent: 104 #Suspicious: 1 C Shift Results: #Consistent: 395 #Duplicate: 0 #Unknown: 0 #Suspicious: 2 #Anomalous: 0 H Shift Results: #Consistent: 674 #Duplicate: 0 #Unknown: 0 #Suspicious: 25 #Anomalous: 0 N Shift Results: #Consistent: 103 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.W24 HE3 = 5.854(S), Expected = 7.31, Std = 0.4100, ChiSquare = 3.8345e-04 1.E26 HB3 = 0.957(S), Expected = 1.99, Std = 0.2300, ChiSquare = 7.0788e-06 1.E26 HG3 = 1.378(S), Expected = 2.25, Std = 0.2200, ChiSquare = 7.3817e-05 1.V31 HB = 0.838(S), Expected = 1.98, Std = 0.3200, ChiSquare = 3.5869e-04 1.V31 HG21 = -0.416(S), Expected = 0.80, Std = 0.2800, ChiSquare = 1.4064e-05 1.V31 HG22 = -0.416(S), Expected = 0.80, Std = 0.2800, ChiSquare = 1.4064e-05 1.V31 HG23 = -0.416(S), Expected = 0.80, Std = 0.2800, ChiSquare = 1.4064e-05 1.G35 HA3 = 1.593(S), Expected = 3.90, Std = 0.3700, ChiSquare = 4.5139e-10 1.K43 HD2 = 0.603(S), Expected = 1.61, Std = 0.2200, ChiSquare = 4.7108e-06 1.K43 HD3 = 0.603(S), Expected = 1.60, Std = 0.2200, ChiSquare = 5.8478e-06 1.K43 HE2 = 1.886(S), Expected = 2.92, Std = 0.1900, ChiSquare = 5.2655e-08 1.K43 HE3 = 1.362(S), Expected = 2.91, Std = 0.2000, ChiSquare = 9.9417e-15 1.K43 SRO Rule Break>> HE3 > HB2 : 0.99703557312253 1.L46 CG = 31.356(S), Expected = 26.78, Std = 1.1000, ChiSquare = 3.1825e-05 1.L59 HD21 = -0.322(S), Expected = 0.73, Std = 0.2900, ChiSquare = 2.8608e-04 1.L59 HD22 = -0.322(S), Expected = 0.73, Std = 0.2900, ChiSquare = 2.8608e-04 1.L59 HD23 = -0.322(S), Expected = 0.73, Std = 0.2900, ChiSquare = 2.8608e-04 1.Q65 HA = 5.761(S), Expected = 4.27, Std = 0.4400, ChiSquare = 7.0241e-04 1.K67 Typing: Suspicious 1.K67 CG = 29.500(S), Expected = 24.89, Std = 1.1300, ChiSquare = 4.5104e-05 1.K67 HG2 = 2.276(S), Expected = 1.37, Std = 0.2600, ChiSquare = 4.9284e-04 1.F69 HB3 = 1.082(S), Expected = 2.93, Std = 0.4000, ChiSquare = 3.8374e-06 1.F69 HD1 = 5.665(S), Expected = 7.06, Std = 0.3100, ChiSquare = 6.7953e-06 1.F69 HD2 = 5.665(S), Expected = 7.06, Std = 0.3100, ChiSquare = 6.7953e-06 1.V70 HG21 = -0.260(S), Expected = 0.80, Std = 0.2800, ChiSquare = 1.5327e-04 1.V70 HG22 = -0.260(S), Expected = 0.80, Std = 0.2800, ChiSquare = 1.5327e-04 1.V70 HG23 = -0.260(S), Expected = 0.80, Std = 0.2800, ChiSquare = 1.5327e-04 1.D77 H = 10.717(S), Expected = 8.31, Std = 0.5800, ChiSquare = 3.3248e-05 1.N92 HB3 = 1.122(S), Expected = 2.75, Std = 0.3300, ChiSquare = 8.0838e-07