Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.K2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.51 C 0.48 HN Overlap>> 1.K6 1.K6 C Shift Assignments>> C :: 178.301 CA :: 57.039 CB :: 32.936 CG :: 24.721 CD :: 29.379 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 :: 8.346 HA :: 4.291 HB2 :: 1.804 HB3 :: 1.800 HG2 :: 1.453 HG3 :: 1.477 HD2 :: 1.652 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 :: 119.832 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.72 L 0.15 R 0.04 C 0.03 F 0.01 D 0.01 C Shift Assignments>> C :: 174.723 CA :: 44.945 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.651 HA2 :: 3.935 HA3 :: 3.935 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.425 Ave N Shift Values>> N :: 109.67(3.87) 1.D4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.38 N 0.22 L 0.18 C 0.05 F 0.05 K 0.05 Y 0.03 HN Overlap>> 2.E51 2.E51 C Shift Assignments>> CA :: 52.310 CB :: 41.108 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 :: 8.144 HA :: 4.881 HB2 :: 2.615 HB3 :: 2.764 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 :: 121.097 Ave N Shift Values>> N :: 120.65(3.86) 1.P5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.76 C 0.22 C Shift Assignments>> C :: 178.183 CA :: 63.501 CB :: 32.172 CG :: 27.256 CD :: 50.781 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 :: 4.457 HB2 :: 2.044 HB3 :: 2.358 HG2 :: 2.025 HG3 :: 2.025 HD2 :: 3.864 HD3 :: 3.881 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.K6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.48 C 0.36 R 0.13 HN Overlap>> 1.K2 1.K2 C Shift Assignments>> C :: 177.086 CA :: 55.802 CB :: 32.733 CG :: 24.970 CD :: 29.077 CE :: 42.177 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 :: 8.351 HA :: 4.280 HB2 :: 1.796 HB3 :: 1.862 HG2 :: 1.441 HG3 :: 1.441 HD2 :: 1.671 HD3 :: 1.671 HE2 :: 3.025 HE3 :: 3.025 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 :: 119.845 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.57 C 0.34 R 0.06 C Shift Assignments>> CA :: 54.542 CB :: 32.960 CG :: 24.214 CD :: 29.414 CE :: 41.952 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 :: 7.906 HA :: 3.857 HB2 :: 1.581 HB3 :: 1.671 HG2 :: 1.057 HG3 :: 1.336 HD2 :: 1.647 HD3 :: 1.647 HE2 :: 2.994 HE3 :: 2.994 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 :: 123.314 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.P8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.7 C 0.29 C Shift Assignments>> C :: 177.256 CA :: 62.899 CB :: 31.806 CG :: 27.975 CD :: 50.756 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 :: 4.237 HB2 :: 1.526 HB3 :: 2.390 HG2 :: 1.539 HG3 :: 1.625 HD2 :: 2.926 HD3 :: 3.322 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.R9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.48 C 0.39 K 0.06 G 0.04 HN Overlap>> 1.M12 1.M12 C Shift Assignments>> C :: 178.935 CA :: 56.593 CB :: 30.292 CG :: 26.917 CD :: 43.086 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 :: 8.914 HA :: 4.127 HB2 :: 1.763 HB3 :: 1.763 HG2 :: 1.675 HG3 :: 1.928 HD2 :: 3.146 HD3 :: 3.206 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 :: 124.175 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.G10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.83 L 0.09 C 0.02 R 0.01 C Shift Assignments>> C :: 174.366 CA :: 45.288 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.621 HA2 :: 3.643 HA3 :: 3.889 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.777 Ave N Shift Values>> N :: 109.67(3.87) 1.K11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.49 C 0.43 R 0.06 C Shift Assignments>> C :: 177.975 CA :: 56.427 CB :: 32.051 CG :: 24.393 CD :: 29.398 CE :: 41.558 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 :: 7.628 HA :: 4.083 HB2 :: 1.543 HB3 :: 1.534 HG2 :: 0.858 HG3 :: 1.178 HD2 :: 1.490 HE2 :: 2.554 HE3 :: 2.792 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 :: 119.463 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.M12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.5 C 0.42 A 0.07 HN Overlap>> 1.R9 1.R9 C Shift Assignments>> C :: 176.746 CA :: 54.936 CB :: 35.098 CG :: 31.961 CE :: 15.511 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 :: 8.969 HA :: 4.389 HB2 :: 1.385 HB3 :: 1.559 HG2 :: 2.015 HG3 :: 2.146 HE1 :: 1.192 HE2 :: 1.192 HE3 :: 1.192 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 :: 124.112 Ave N Shift Values>> N :: 120.09(3.57) 1.S13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.97 T 0.02 C Shift Assignments>> C :: 175.799 CA :: 57.056 CB :: 65.745 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.150 HA :: 4.616 HB2 :: 4.081 HB3 :: 4.511 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 :: 118.524 Ave N Shift Values>> N :: 116.28(3.52) 1.S14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.317 CA :: 61.412 CB :: 62.444 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.294 HA :: 4.386 HB2 :: 4.126 HB3 :: 4.156 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 :: 115.999 Ave N Shift Values>> N :: 116.28(3.52) 1.Y15 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> Y 0.63 C 0.36 HN Overlap>> 1.A16 1.A16 C Shift Assignments>> C :: 177.310 CA :: 60.365 CB :: 38.088 CD1 :: 132.386 CD2 :: 132.386 CE1 :: 117.394 CE2 :: 117.394 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 :: 7.913 HA :: 2.886 HB2 :: 2.344 HB3 :: 2.371 HD1 :: 5.811(S) HD2 :: 5.811(S) HE1 :: 6.349 HE2 :: 6.349 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 121.512 Ave N Shift Values>> N :: 120.52(4.2) 1.A16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.56 A 0.35 I 0.04 C 0.03 HN Overlap>> 1.Y15 1.E39 1.Y15 1.E39 C Shift Assignments>> C :: 182.068 CA :: 55.388 CB :: 18.171 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.879 HA :: 3.602 HB1 :: 1.327 HB2 :: 1.327 HB3 :: 1.327 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.554 Ave N Shift Values>> N :: 123.23(3.54) 1.F17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.75 C 0.24 C Shift Assignments>> C :: 180.287 CA :: 63.688 CB :: 39.751 CD1 :: 132.077 CD2 :: 132.077 CE1 :: 132.085 CE2 :: 132.085 CZ :: 129.330 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 :: 8.219 HA :: 4.147 HB2 :: 3.372 HB3 :: 3.644 HD1 :: 7.604 HD2 :: 7.604 HE1 :: 7.328 HE2 :: 7.328 HZ :: 7.106 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 :: 116.486 Ave N Shift Values>> N :: 120.45(4.18) 1.F18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.66 C 0.33 C Shift Assignments>> C :: 178.450 CA :: 60.944 CB :: 38.501 CD1 :: 132.069 CD2 :: 132.069 CE1 :: 131.238 CE2 :: 131.238 CZ :: 129.810 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 :: 8.079 HA :: 3.728 HB2 :: 2.113 HB3 :: 2.609 HD1 :: 6.437 HD2 :: 6.437 HE1 :: 7.393 HE2 :: 7.393 HZ :: 7.110 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 :: 124.588 Ave N Shift Values>> N :: 120.45(4.18) 1.V19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.92 C 0.07 C Shift Assignments>> C :: 179.235 CA :: 67.155 CB :: 31.265 CG1 :: 22.850 CG2 :: 21.414 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 :: 8.536 HA :: 2.999 HB :: 1.758 HG11 :: 0.286 HG12 :: 0.286 HG13 :: 0.286 HG21 :: 0.816 HG22 :: 0.816 HG23 :: 0.816 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 :: 122.571 Ave N Shift Values>> N :: 121.14(4.54) 1.Q20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 K 0.25 Q 0.23 E 0.05 R 0.03 I 0.03 M 0.02 C Shift Assignments>> C :: 179.608 CA :: 59.599 CB :: 28.988 CG :: 33.775 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 :: 8.130 HA :: 3.864 HB2 :: 2.065 HB3 :: 2.065 HG2 :: 2.276 HG3 :: 2.276 HE21 :: 6.667 HE22 :: 7.597 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 :: 118.387 NE2 :: 110.554 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.T21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.98 C 0.01 C Shift Assignments>> C :: 178.154 CA :: 67.176 CB :: 68.901 CG2 :: 21.377 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 :: 8.150 HA :: 4.132 HB :: 4.534 HG21 :: 1.550 HG22 :: 1.550 HG23 :: 1.550 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 :: 116.315 Ave N Shift Values>> N :: 115.42(4.75) 1.C22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.52 I 0.36 C 0.09 W 0.01 C Shift Assignments>> C :: 179.499 CA :: 63.859 CB :: 27.007 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.361 HA :: 4.118 HB2 :: 2.493 HB3 :: 2.953 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 120.604 Ave N Shift Values>> N :: 120.17(4.64) 1.R23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 R 0.42 K 0.04 G 0.04 C Shift Assignments>> C :: 179.433 CA :: 59.667 CB :: 29.637 CG :: 27.337 CD :: 42.985 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 :: 8.883 HA :: 3.756 HB2 :: 1.750 HB3 :: 1.959 HG2 :: 1.297 HG3 :: 1.390 HD2 :: 2.652 HD3 :: 2.736 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 :: 122.556 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.E24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 E 0.33 I 0.18 K 0.07 Q 0.03 M 0.01 HN Overlap>> 2.V73 2.V73 C Shift Assignments>> C :: 180.566 CA :: 59.396 CB :: 29.272 CG :: 36.288 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 :: 8.160 HA :: 4.041 HB2 :: 2.146 HB3 :: 2.254 HG2 :: 2.334 HG3 :: 2.470 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 :: 120.155 Ave N Shift Values>> N :: 120.67(3.48) 1.E25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 E 0.35 I 0.14 K 0.06 Q 0.03 M 0.02 C Shift Assignments>> C :: 180.029 CA :: 59.291 CB :: 29.647 CG :: 36.303 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 :: 8.262 HA :: 4.058 HB2 :: 2.139 HB3 :: 2.219 HG2 :: 2.333 HG3 :: 2.471 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 :: 119.304 Ave N Shift Values>> N :: 120.67(3.48) 1.H26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 W 0.37 H 0.22 C Shift Assignments>> C :: 178.349 CA :: 60.870 CB :: 31.110 CD2 :: 119.290 CE1 :: 138.226 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 :: 8.234 HA :: 4.228 HB2 :: 3.161 HB3 :: 3.277 HD2 :: 6.865 HE1 :: 7.504 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 :: 119.771 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.K27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 K 0.44 R 0.08 C Shift Assignments>> C :: 179.155 CA :: 58.453 CB :: 32.390 CG :: 24.987 CD :: 29.278 CE :: 42.012 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 :: 7.984 HA :: 3.978 HB2 :: 1.887 HB3 :: 1.887 HG2 :: 1.553 HG3 :: 1.553 HD2 :: 1.687 HD3 :: 1.687 HE2 :: 2.940 HE3 :: 2.940 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 :: 117.630 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 K 0.43 R 0.1 C Shift Assignments>> C :: 179.462 CA :: 58.526 CB :: 32.611 CG :: 25.340 CD :: 29.283 CE :: 41.963 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 :: 7.496 HA :: 3.986 HB2 :: 1.886 HB3 :: 1.984 HG2 :: 1.403 HG3 :: 1.566 HD2 :: 1.686 HD3 :: 1.686 HE2 :: 2.944 HE3 :: 2.944 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 :: 116.168 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.44 C 0.42 R 0.11 C Shift Assignments>> C :: 177.422 CA :: 57.474 CB :: 33.771 CG :: 25.234 CD :: 28.889 CE :: 42.057 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 :: 7.439 HA :: 3.979 HB2 :: 1.300 HB3 :: 1.531 HG2 :: 1.096 HG3 :: 1.309 HD2 :: 1.599 HE2 :: 2.932 HE3 :: 2.932 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 :: 116.319 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.H30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.47 W 0.33 C 0.19 C Shift Assignments>> CA :: 52.548 CB :: 29.144 CD2 :: 122.393 CE1 :: 137.985 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 :: 8.030 HA :: 4.990 HB2 :: 2.613 HB3 :: 2.823 HD2 :: 6.513 HE1 :: 7.786 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 :: 115.706 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.P31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.86 C 0.13 C Shift Assignments>> C :: 178.605 CA :: 64.856 CB :: 31.878 CG :: 27.086 CD :: 50.118 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 :: 4.501 HB2 :: 1.926 HB3 :: 2.366 HG2 :: 1.924 HG3 :: 1.987 HD2 :: 3.301 HD3 :: 3.550 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.D32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.35 L 0.19 N 0.16 F 0.08 Y 0.06 K 0.06 C 0.05 HN Overlap>> 2.S9 2.S9 C Shift Assignments>> C :: 176.840 CA :: 53.745 CB :: 40.886 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 :: 8.520 HA :: 4.665 HB2 :: 2.664 HB3 :: 2.767 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 115.547 Ave N Shift Values>> N :: 120.65(3.86) 1.A33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.9 M 0.03 C 0.03 L 0.02 C Shift Assignments>> C :: 178.778 CA :: 52.119 CB :: 20.290 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.494 HA :: 4.431 HB1 :: 1.421 HB2 :: 1.421 HB3 :: 1.421 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.453 Ave N Shift Values>> N :: 123.23(3.54) 1.S34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.445 CA :: 57.848 CB :: 63.625 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.567 HA :: 4.507 HB2 :: 3.812 HB3 :: 3.814 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 :: 117.373 Ave N Shift Values>> N :: 116.28(3.52) 1.V35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.58 C 0.41 C Shift Assignments>> C :: 176.077 CA :: 61.354 CB :: 33.404 CG1 :: 20.679 CG2 :: 20.528 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 :: 8.319 HA :: 3.983 HB :: 1.665 HG11 :: 0.348 HG12 :: 0.348 HG13 :: 0.348 HG21 :: 0.534 HG22 :: 0.534 HG23 :: 0.534 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 :: 122.324 Ave N Shift Values>> N :: 121.14(4.54) 1.N36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.6 D 0.14 C 0.09 Y 0.05 F 0.05 L 0.03 C Shift Assignments>> C :: 176.712 CA :: 52.464 CB :: 38.618 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 :: 8.656 HA :: 4.779 HB2 :: 2.783 HB3 :: 2.932 HD21 :: 7.051 HD22 :: 7.719 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 :: 124.887 ND2 :: 112.904 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.F37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.73 C 0.26 C Shift Assignments>> C :: 178.625 CA :: 62.154 CB :: 38.985 CD1 :: 131.239 CD2 :: 131.239 CE1 :: 131.282 CE2 :: 131.282 CZ :: 129.566 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 :: 4.036 HB2 :: 3.003 HB3 :: 3.072 HD1 :: 7.081 HD2 :: 7.081 HE1 :: 7.003 HE2 :: 7.003 HZ :: 7.087 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 126.002 Ave N Shift Values>> N :: 120.45(4.18) 1.S38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 178.043 CA :: 62.113 CB :: 62.362 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.645 HA :: 4.109 HB2 :: 3.677 HB3 :: 3.750 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 :: 116.083 Ave N Shift Values>> N :: 116.28(3.52) 1.E39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.38 C 0.37 I 0.09 K 0.06 Q 0.04 M 0.03 HN Overlap>> 1.A16 1.A16 C Shift Assignments>> C :: 179.743 CA :: 58.726 CB :: 29.887 CG :: 36.239 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 :: 7.795 HA :: 4.062 HB2 :: 2.017 HB3 :: 2.073 HG2 :: 2.214 HG3 :: 2.331 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.496 Ave N Shift Values>> N :: 120.67(3.48) 1.F40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.76 C 0.23 C Shift Assignments>> C :: 178.959 CA :: 61.762 CB :: 39.928 CD1 :: 131.452 CD2 :: 131.452 CE1 :: 131.113 CE2 :: 131.113 CZ :: 129.023 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 :: 8.578 HA :: 4.036 HB2 :: 2.764 HB3 :: 2.982 HD1 :: 6.899 HD2 :: 6.899 HE1 :: 6.894 HE2 :: 6.894 HZ :: 6.809 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 :: 121.185 Ave N Shift Values>> N :: 120.45(4.18) 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 :: 177.666 CA :: 61.842 CB :: 62.531 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.559 HA :: 3.755 HB2 :: 3.681 HB3 :: 3.748 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 :: 114.325 Ave N Shift Values>> N :: 116.28(3.52) 1.K42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 K 0.45 R 0.08 C Shift Assignments>> C :: 180.095 CA :: 59.495 CB :: 32.382 CG :: 24.871 CD :: 29.089 CE :: 41.985 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 :: 7.471 HA :: 4.067 HB2 :: 1.874 HB3 :: 1.983 HG2 :: 1.409 HG3 :: 1.486 HD2 :: 1.486 HD3 :: 1.486 HE2 :: 2.944 HE3 :: 2.944 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 :: 121.621 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 K 0.42 R 0.12 HN Overlap>> 1.K58 1.K58 C Shift Assignments>> C :: 181.348 CA :: 59.098 CB :: 31.702 CG :: 25.007 CD :: 28.858 CE :: 41.939 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 :: 7.788 HA :: 4.075 HB2 :: 1.786 HB3 :: 1.810 HG2 :: 1.413 HG3 :: 1.520 HD2 :: 1.623 HE2 :: 2.928 HE3 :: 2.928 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 :: 119.163 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.C44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.53 I 0.36 C 0.08 HN Overlap>> 2.D48 2.D48 C Shift Assignments>> C :: 177.925 CA :: 64.320 CB :: 26.927 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.071 HA :: 4.110 HB2 :: 2.589 HB3 :: 3.074 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 117.281 Ave N Shift Values>> N :: 120.17(4.64) 1.S45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.M74 1.M74 2.T81 2.T81 C Shift Assignments>> C :: 178.326 CA :: 62.152 CB :: 62.795 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.387 HA :: 4.268 HB2 :: 4.013 HB3 :: 4.074 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 :: 117.053 Ave N Shift Values>> N :: 116.28(3.52) 1.E46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 E 0.35 I 0.16 K 0.05 Q 0.02 M 0.01 C Shift Assignments>> C :: 180.437 CA :: 59.298 CB :: 29.561 CG :: 36.409 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 :: 7.988 HA :: 4.079 HB2 :: 2.098 HB3 :: 2.191 HG2 :: 2.334 HG3 :: 2.462 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 :: 120.506 Ave N Shift Values>> N :: 120.67(3.48) 1.R47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 R 0.42 G 0.09 K 0.02 HN Overlap>> 1.K58 1.R72 1.K58 1.R72 C Shift Assignments>> C :: 179.987 CA :: 58.640 CB :: 30.582 CG :: 27.380 CD :: 43.656 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 :: 7.954 HA :: 4.162 HB2 :: 2.150 HB3 :: 2.231 HG2 :: 1.869 HG3 :: 1.934 HD2 :: 3.209 HD3 :: 3.367 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 :: 119.074 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.W48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.52 C 0.47 C Shift Assignments>> C :: 179.340 CA :: 59.689 CB :: 30.744 CD1 :: 127.430 CE3 :: 121.442 CZ2 :: 114.238 CZ3 :: 121.812 CH2 :: 123.806 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 :: 8.721 HA :: 4.356 HB2 :: 3.333 HB3 :: 3.390 HD1 :: 6.961 HE1 :: 10.174 HE3 :: 6.122 HZ2 :: 7.586 HZ3 :: 6.436 HH2 :: 7.090 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 :: 120.896 NE1 :: 127.836 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.K49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 K 0.41 R 0.13 C Shift Assignments>> C :: 179.267 CA :: 58.932 CB :: 32.960 CG :: 25.521 CD :: 29.576 CE :: 41.988 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 :: 7.684 HA :: 4.031 HB2 :: 1.969 HB3 :: 1.972 HG2 :: 1.514 HG3 :: 1.729 HD2 :: 1.705 HD3 :: 1.705 HE2 :: 2.935 HE3 :: 2.935 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 114.334 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.T50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.88 C 0.11 C Shift Assignments>> C :: 176.014 CA :: 61.360 CB :: 69.777 CG2 :: 21.736 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 :: 7.414 HA :: 4.387 HB :: 4.462 HG21 :: 1.261 HG22 :: 1.261 HG23 :: 1.261 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 :: 106.338 Ave N Shift Values>> N :: 115.42(4.75) 1.M51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.47 C 0.46 A 0.04 C Shift Assignments>> C :: 177.029 CA :: 56.413 CB :: 35.103 CG :: 31.449 CE :: 16.366 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 :: 7.133 HA :: 4.208 HB2 :: 1.650 HB3 :: 1.819 HG2 :: 2.536 HG3 :: 2.536 HE1 :: 1.814 HE2 :: 1.814 HE3 :: 1.814 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 :: 123.497 Ave N Shift Values>> N :: 120.09(3.57) 1.S52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 T 0.01 C Shift Assignments>> C :: 175.791 CA :: 57.199 CB :: 65.433 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.002 HA :: 4.354 HB2 :: 4.072 HB3 :: 4.340 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 :: 119.527 Ave N Shift Values>> N :: 116.28(3.52) 1.A53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.62 A 0.29 I 0.05 C 0.02 C Shift Assignments>> C :: 182.403 CA :: 55.462 CB :: 17.818 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.862 HA :: 3.919 HB1 :: 1.431 HB2 :: 1.431 HB3 :: 1.431 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.016 Ave N Shift Values>> N :: 123.23(3.54) 1.K54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 K 0.44 R 0.09 C Shift Assignments>> C :: 180.752 CA :: 59.106 CB :: 32.398 CG :: 24.896 CD :: 28.827 CE :: 41.833 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 :: 8.254 HA :: 4.057 HB2 :: 1.857 HB3 :: 1.857 HG2 :: 1.435 HG3 :: 1.435 HD2 :: 1.715 HD3 :: 1.715 HE2 :: 2.948 HE3 :: 2.948 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 :: 117.698 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 E 0.26 I 0.19 M 0.02 K 0.01 C Shift Assignments>> C :: 179.888 CA :: 59.121 CB :: 30.230 CG :: 37.686 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 :: 7.652 HA :: 4.071 HB2 :: 2.144 HB3 :: 2.217 HG2 :: 2.376 HG3 :: 2.376 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 :: 120.039 Ave N Shift Values>> N :: 120.67(3.48) 1.K56 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> C 0.46 K 0.36 R 0.16 C Shift Assignments>> C :: 180.132 CA :: 59.502 CB :: 32.855 CG :: 26.238 CD :: 29.199 CE :: 41.971 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 :: 8.115 HA :: 4.098 HB2 :: 1.566 HB3 :: 1.766 HG2 :: -0.012(S) HG3 :: 0.997 HD2 :: 0.819(S) HD3 :: 0.866(S) HE2 :: 1.245(A) HE3 :: 1.928(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 :: 116.710 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) 1.G57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.6 P 0.13 C 0.1 A 0.07 L 0.03 N 0.02 C Shift Assignments>> C :: 176.353 CA :: 47.874 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.855 HA2 :: 3.863 HA3 :: 4.032 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.706 Ave N Shift Values>> N :: 109.67(3.87) 1.K58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 K 0.4 R 0.09 HN Overlap>> 1.R47 1.R47 1.K43 1.K43 C Shift Assignments>> C :: 179.696 CA :: 58.964 CB :: 31.733 CG :: 23.627 CD :: 29.089 CE :: 41.726 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 :: 7.865 HA :: 4.067 HB2 :: 1.337 HB3 :: 1.641 HG2 :: 0.820 HG3 :: 0.873 HD2 :: 1.476 HD3 :: 1.476 HE2 :: 2.562 HE3 :: 2.792 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 :: 119.114 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.F59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.61 C 0.38 C Shift Assignments>> C :: 179.638 CA :: 60.845 CB :: 38.788 CD1 :: 132.157 CD2 :: 132.157 CE1 :: 132.179 CE2 :: 132.179 CZ :: 130.459 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 :: 7.284 HA :: 4.457 HB2 :: 3.399 HB3 :: 4.129 HD1 :: 7.604 HD2 :: 7.604 HE1 :: 7.732 HE2 :: 7.732 HZ :: 7.800 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 :: 119.468 Ave N Shift Values>> N :: 120.45(4.18) 1.E60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 E 0.3 I 0.16 K 0.1 Q 0.06 HN Overlap>> 2.Q38 2.Q38 C Shift Assignments>> C :: 181.322 CA :: 59.269 CB :: 28.860 CG :: 35.921 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 :: 8.405 HA :: 4.442 HB2 :: 2.241 HB3 :: 2.349 HG2 :: 2.514 HG3 :: 2.571 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 :: 121.775 Ave N Shift Values>> N :: 120.67(3.48) 1.D61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.29 F 0.29 C 0.14 I 0.09 D 0.07 L 0.06 N 0.02 HN Overlap>> 2.E68 2.E68 C Shift Assignments>> C :: 180.889 CA :: 57.675 CB :: 39.619 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 :: 8.607 HA :: 4.446 HB2 :: 2.587 HB3 :: 2.771 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 120.932 Ave N Shift Values>> N :: 120.65(3.86) 1.M62 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.61 M 0.38 HN Overlap>> 1.A68 1.A68 C Shift Assignments>> C :: 179.675 CA :: 59.350 CB :: 31.752 CG :: 32.313 CE :: 17.957 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 :: 7.380 HA :: 3.786 HB2 :: 0.495(S) HB3 :: 1.698 HG2 :: 2.208 HG3 :: 2.668 HE1 :: 1.915 HE2 :: 1.915 HE3 :: 1.915 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 :: 120.526 Ave N Shift Values>> N :: 120.09(3.57) 1.A63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.51 A 0.38 I 0.04 C 0.03 HN Overlap>> 2.L26 2.L26 C Shift Assignments>> C :: 181.806 CA :: 55.498 CB :: 18.506 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.993 HA :: 4.384 HB1 :: 1.780 HB2 :: 1.780 HB3 :: 1.780 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.909 Ave N Shift Values>> N :: 123.23(3.54) 1.K64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 K 0.4 R 0.1 C Shift Assignments>> C :: 180.987 CA :: 60.097 CB :: 32.576 CG :: 25.427 CD :: 29.668 CE :: 42.069 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 :: 8.577 HA :: 4.131 HB2 :: 2.016 HB3 :: 2.016 HG2 :: 1.501 HG3 :: 1.712 HD2 :: 1.755 HD3 :: 1.755 HE2 :: 3.025 HE3 :: 3.025 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 :: 121.944 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.55 A 0.39 I 0.02 C 0.02 C Shift Assignments>> C :: 181.878 CA :: 54.788 CB :: 17.725 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.917 HA :: 4.297 HB1 :: 1.556 HB2 :: 1.556 HB3 :: 1.556 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.617 Ave N Shift Values>> N :: 123.23(3.54) 1.D66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.27 L 0.2 K 0.15 F 0.12 Y 0.08 C 0.06 D 0.05 G 0.01 I 0.01 C Shift Assignments>> C :: 178.903 CA :: 57.464 CB :: 42.815 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 :: 8.361 HA :: 4.937 HB2 :: 3.116 HB3 :: 3.141 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 120.199 Ave N Shift Values>> N :: 120.65(3.86) 1.K67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 K 0.37 R 0.11 G 0.01 C Shift Assignments>> C :: 178.960 CA :: 59.765 CB :: 32.476 CG :: 25.066 CD :: 30.029 CE :: 42.406 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 :: 8.212 HA :: 4.066 HB2 :: 1.998 HB3 :: 2.128 HG2 :: 1.492 HG3 :: 1.492 HD2 :: 1.777 HD3 :: 1.777 HE2 :: 3.097 HE3 :: 3.097 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 :: 120.267 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.54 A 0.4 I 0.02 C 0.02 HN Overlap>> 1.M62 1.M62 C Shift Assignments>> C :: 181.468 CA :: 54.828 CB :: 17.809 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.467 HA :: 4.306 HB1 :: 1.563 HB2 :: 1.563 HB3 :: 1.563 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.487 Ave N Shift Values>> N :: 123.23(3.54) 1.R69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 K 0.26 L 0.24 R 0.03 HN Overlap>> 2.V10 2.L22 2.V10 2.L22 C Shift Assignments>> C :: 179.224 CA :: 59.241 CB :: 27.453 CG :: 24.897 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 :: 7.961 HA :: 4.078 HB2 :: 2.055 HB3 :: 2.517 HG2 :: 1.413 HG3 :: 1.495 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 :: 120.652 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.Y70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.71 C 0.28 C Shift Assignments>> C :: 177.820 CA :: 62.371 CB :: 39.347 CD1 :: 133.423 CD2 :: 133.423 CE1 :: 118.235 CE2 :: 118.235 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 :: 8.593 HA :: 3.992 HB2 :: 3.083 HB3 :: 3.184 HD1 :: 7.211 HD2 :: 7.211 HE1 :: 6.807 HE2 :: 6.807 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 121.581 Ave N Shift Values>> N :: 120.52(4.2) 1.E71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 E 0.29 I 0.25 K 0.03 C Shift Assignments>> C :: 180.547 CA :: 59.386 CB :: 29.274 CG :: 37.062 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 :: 8.430 HA :: 3.779 HB2 :: 2.058 HB3 :: 2.152 HG2 :: 2.407 HG3 :: 2.744 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 :: 116.694 Ave N Shift Values>> N :: 120.67(3.48) 1.R72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 R 0.43 G 0.08 K 0.02 HN Overlap>> 1.R47 1.R47 C Shift Assignments>> C :: 180.676 CA :: 59.398 CB :: 30.058 CG :: 27.342 CD :: 43.445 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 :: 8.007 HA :: 4.105 HB2 :: 2.020 HB3 :: 2.020 HG2 :: 1.638 HG3 :: 1.758 HD2 :: 3.274 HD3 :: 3.274 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 :: 119.041 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.E73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.47 C 0.39 E 0.11 L 0.01 HN Overlap>> 2.D61 2.D61 C Shift Assignments>> C :: 180.892 CA :: 59.356 CB :: 27.460 CG :: 37.627 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 :: 8.483 HA :: 4.020 HB2 :: 1.637 HB3 :: 2.056 HG2 :: 2.163 HG3 :: 2.648 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 :: 119.530 Ave N Shift Values>> N :: 120.67(3.48) 1.M74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.48 C 0.44 A 0.06 HN Overlap>> 1.S45 1.S45 C Shift Assignments>> C :: 179.791 CA :: 55.882 CB :: 30.671 CG :: 32.268 CE :: 16.189 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 :: 8.449 HA :: 4.447 HB2 :: 1.883 HB3 :: 1.886 HG2 :: 1.987 HG3 :: 2.302 HE1 :: 2.020 HE2 :: 2.020 HE3 :: 2.020 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 :: 117.100 Ave N Shift Values>> N :: 120.09(3.57) 1.K75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 K 0.44 R 0.08 C Shift Assignments>> C :: 179.046 CA :: 58.633 CB :: 32.531 CG :: 25.128 CD :: 29.187 CE :: 42.003 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 :: 7.511 HA :: 4.182 HB2 :: 1.993 HB3 :: 1.993 HG2 :: 1.557 HG3 :: 1.705 HD2 :: 1.705 HE2 :: 2.979 HE3 :: 2.979 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 :: 118.484 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.T76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.88 C 0.11 C Shift Assignments>> C :: 175.182 CA :: 61.352 CB :: 69.207 CG2 :: 21.693 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 :: 7.337 HA :: 4.391 HB :: 4.441 HG21 :: 1.203 HG22 :: 1.203 HG23 :: 1.203 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 :: 106.656 Ave N Shift Values>> N :: 115.42(4.75) 1.Y77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.64 C 0.35 C Shift Assignments>> C :: 175.532 CA :: 58.388 CB :: 39.105 CD1 :: 133.223 CD2 :: 133.223 CE1 :: 117.660 CE2 :: 117.660 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 :: 7.495 HA :: 4.532 HB2 :: 2.952 HB3 :: 3.077 HD1 :: 7.087 HD2 :: 7.087 HE1 :: 6.739 HE2 :: 6.739 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 :: 123.458 Ave N Shift Values>> N :: 120.52(4.2) 1.I78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.48 C 0.46 A 0.04 C Shift Assignments>> CA :: 57.281 CB :: 39.063 CG1 :: 26.694 CG2 :: 16.899 CD1 :: 12.539 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 :: 7.782 HA :: 4.289 HB :: 1.666 HG12 :: 1.024 HG13 :: 1.439 HG21 :: 0.801 HG22 :: 0.801 HG23 :: 0.801 HD11 :: 0.799 HD12 :: 0.799 HD13 :: 0.799 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 :: 128.921 Ave N Shift Values>> N :: 121.46(4.28) 1.P79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.56 P 0.43 C Shift Assignments>> CA :: 61.034 CB :: 30.895 CG :: 27.223 CD :: 50.744 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 :: 4.417 HB2 :: 1.905 HB3 :: 2.350 HG2 :: 1.986 HG3 :: 2.044 HD2 :: 3.512 HD3 :: 3.597 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.P80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.7 C 0.29 C Shift Assignments>> C :: 178.001 CA :: 62.759 CB :: 32.112 CG :: 27.410 CD :: 50.591 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 :: 4.408 HB2 :: 1.904 HB3 :: 2.297 HG2 :: 2.019 HG3 :: 2.019 HD2 :: 3.628 HD3 :: 3.859 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.K81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.46 C 0.41 R 0.11 HN Overlap>> 2.E17 2.E17 C Shift Assignments>> C :: 178.331 CA :: 56.655 CB :: 33.123 CG :: 24.643 CD :: 29.078 CE :: 42.151 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 :: 8.396 HA :: 4.276 HB2 :: 1.809 HB3 :: 1.813 HG2 :: 1.460 HG3 :: 1.460 HD2 :: 1.698 HD3 :: 1.698 HE2 :: 3.025 HE3 :: 3.025 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 :: 121.427 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.84 L 0.09 C 0.02 R 0.01 C Shift Assignments>> C :: 174.296 CA :: 45.326 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.455 HA2 :: 3.949 HA3 :: 3.949 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.760 Ave N Shift Values>> N :: 109.67(3.87) 1.E83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 E 0.38 M 0.12 I 0.02 Q 0.01 K 0.01 C Shift Assignments>> CA :: 57.854 CB :: 31.219 CG :: 36.701 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 :: 7.885 HA :: 4.156 HB2 :: 2.079 HB3 :: 1.869 HG2 :: 2.181 HG3 :: 2.181 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 125.324 Ave N Shift Values>> N :: 120.67(3.48) 2.M1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> M 0.18 K 0.15 C 0.14 R 0.14 H 0.13 W 0.09 E 0.07 Q 0.05 V 0.01 C Shift Assignments>> C :: 175.517 CA :: 55.540 CB :: 32.043 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 :: 4.442 HB2 :: 2.013 HB3 :: 2.516 HG2 :: 2.507 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) 2.E2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.41 C 0.34 M 0.1 K 0.05 Q 0.05 I 0.02 C Shift Assignments>> C :: 176.141 CA :: 56.472 CB :: 30.302 CG :: 36.304 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 :: 8.652 HA :: 4.293 HB2 :: 1.954 HB3 :: 2.039 HG2 :: 2.246 HG3 :: 2.277 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 :: 122.378 Ave N Shift Values>> N :: 120.67(3.48) 2.E3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.41 C 0.33 M 0.09 K 0.07 Q 0.06 I 0.01 HN Overlap>> 2.D7 2.D7 C Shift Assignments>> CA :: 54.349 CB :: 29.930 CG :: 36.285 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 :: 8.462 HA :: 4.576 HB2 :: 1.891 HB3 :: 2.028 HG2 :: 2.290 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 123.125 Ave N Shift Values>> N :: 120.67(3.48) 2.P4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.73 C 0.26 C Shift Assignments>> C :: 177.015 CA :: 63.015 CB :: 32.077 CG :: 27.292 CD :: 50.685 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 :: 4.414 HB2 :: 1.902 HB3 :: 2.290 HG2 :: 2.003 HD2 :: 3.672 HD3 :: 3.790 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 2.Q5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.32 K 0.25 C 0.23 M 0.08 E 0.08 R 0.02 C Shift Assignments>> C :: 175.982 CA :: 55.581 CB :: 29.622 CG :: 33.902 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 :: 8.566 HA :: 4.351 HB2 :: 2.050 HB3 :: 2.119 HG2 :: 2.385 HE21 :: 6.896 HE22 :: 7.612 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 :: 120.568 NE2 :: 112.661 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 2.S6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.295 CA :: 58.268 CB :: 64.022 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 :: 4.434 HB2 :: 3.826 HB3 :: 3.867 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 :: 117.321 Ave N Shift Values>> N :: 116.28(3.52) 2.D7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.38 N 0.2 L 0.19 K 0.06 C 0.05 F 0.05 Y 0.03 R 0.01 HN Overlap>> 2.E3 2.E3 C Shift Assignments>> CA :: 52.187 CB :: 41.286 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 :: 8.446 HA :: 4.912 HB2 :: 2.543 HB3 :: 2.786 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 :: 123.218 Ave N Shift Values>> N :: 120.65(3.86) 2.P8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.75 C 0.23 C Shift Assignments>> C :: 177.287 CA :: 63.379 CB :: 32.062 CG :: 27.004 CD :: 50.815 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 :: 4.448 HB2 :: 1.902 HB3 :: 2.280 HG2 :: 2.010 HD2 :: 3.677 HD3 :: 3.834 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 2.S9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.D32 1.D32 C Shift Assignments>> C :: 174.237 CA :: 58.940 CB :: 63.720 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.533 HA :: 4.397 HB2 :: 3.890 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 :: 115.588 Ave N Shift Values>> N :: 116.28(3.52) 2.V10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.63 C 0.36 HN Overlap>> 1.R69 1.R69 2.L22 2.L22 C Shift Assignments>> C :: 175.758 CA :: 61.842 CB :: 32.897 CG1 :: 20.795 CG2 :: 20.810 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 :: 7.871 HA :: 4.184 HB :: 2.114 HG11 :: 0.922 HG12 :: 0.922 HG13 :: 0.922 HG21 :: 0.924 HG22 :: 0.924 HG23 :: 0.924 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 :: 120.621 Ave N Shift Values>> N :: 121.14(4.54) 2.E11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.3 Q 0.1 M 0.1 K 0.09 C Shift Assignments>> CA :: 54.259 CB :: 29.914 CG :: 35.952 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 :: 8.341 HA :: 4.575 HB2 :: 1.890 HB3 :: 2.035 HG2 :: 2.288 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 125.690 Ave N Shift Values>> N :: 120.67(3.48) 2.P12 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> HD2 :: 3.866 HD3 :: 3.866 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 2.P13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.7 C 0.29 C Shift Assignments>> C :: 177.111 CA :: 62.744 CB :: 31.976 CG :: 27.287 CD :: 50.382 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 :: 4.445 HB2 :: 1.902 HB3 :: 2.289 HG2 :: 1.981 HD2 :: 3.628 HD3 :: 3.797 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 2.L14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.73 C 0.22 G 0.01 A 0.01 C Shift Assignments>> C :: 177.801 CA :: 55.248 CB :: 42.317 CD1 :: 24.990 CD2 :: 23.670 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 :: 8.353 HA :: 4.323 HB2 :: 1.584 HB3 :: 1.636 HD11 :: 0.927 HD12 :: 0.927 HD13 :: 0.927 HD21 :: 0.886 HD22 :: 0.886 HD23 :: 0.886 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 121.962 Ave N Shift Values>> N :: 121.86(3.9) 2.S15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.336 CA :: 58.100 CB :: 63.795 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.345 HA :: 4.444 HB2 :: 3.826 HB3 :: 3.859 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 :: 116.301 Ave N Shift Values>> N :: 116.28(3.52) 2.Q16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.3 C 0.24 K 0.23 M 0.1 E 0.08 R 0.01 C Shift Assignments>> C :: 176.072 CA :: 56.125 CB :: 29.819 CG :: 33.849 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 :: 8.521 HA :: 4.305 HB2 :: 1.996 HB3 :: 2.120 HG2 :: 2.328 HE21 :: 6.896 HE22 :: 7.612 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 :: 122.080 NE2 :: 112.661 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 2.E17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.41 C 0.35 M 0.08 K 0.06 Q 0.04 I 0.03 HN Overlap>> 1.K81 1.K81 2.R65 2.R65 C Shift Assignments>> C :: 176.742 CA :: 57.021 CB :: 30.181 CG :: 36.369 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 :: 8.489 HA :: 4.257 HB2 :: 1.923 HB3 :: 2.036 HG2 :: 2.219 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 :: 121.433 Ave N Shift Values>> N :: 120.67(3.48) 2.T18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.9 C 0.09 C Shift Assignments>> C :: 174.157 CA :: 61.922 CB :: 69.708 CG2 :: 21.579 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 :: 8.122 HA :: 4.240 HB :: 4.124 HG21 :: 1.104 HG22 :: 1.104 HG23 :: 1.104 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 :: 114.507 Ave N Shift Values>> N :: 115.42(4.75) 2.F19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.65 C 0.34 C Shift Assignments>> C :: 175.869 CA :: 58.197 CB :: 39.357 CD1 :: 131.654 CD2 :: 131.654 CE1 :: 131.530 CE2 :: 131.530 CZ :: 129.797 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 :: 8.269 HA :: 4.573 HB2 :: 3.034 HB3 :: 3.139 HD1 :: 7.204 HD2 :: 7.204 HE1 :: 7.295 HE2 :: 7.295 HZ :: 7.247 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 :: 121.719 Ave N Shift Values>> N :: 120.45(4.18) 2.S20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.320 CA :: 58.921 CB :: 63.811 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.123 HA :: 4.287 HB2 :: 3.746 HB3 :: 3.858 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 :: 116.043 Ave N Shift Values>> N :: 116.28(3.52) 2.D21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.29 L 0.2 F 0.13 Y 0.1 N 0.09 K 0.08 C 0.06 C Shift Assignments>> C :: 177.033 CA :: 54.969 CB :: 40.830 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 :: 8.258 HA :: 4.541 HB2 :: 2.594 HB3 :: 2.703 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 :: 121.509 Ave N Shift Values>> N :: 120.65(3.86) 2.L22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.61 C 0.35 R 0.02 HN Overlap>> 1.R69 2.V10 1.R69 2.V10 C Shift Assignments>> C :: 178.338 CA :: 56.676 CB :: 41.792 CG :: 26.881 CD1 :: 24.918 CD2 :: 23.476 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 :: 7.934 HA :: 4.069 HB2 :: 1.387 HB3 :: 1.518 HG :: 1.536 HD11 :: 0.841 HD12 :: 0.841 HD13 :: 0.841 HD21 :: 0.772 HD22 :: 0.772 HD23 :: 0.772 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 :: 120.657 Ave N Shift Values>> N :: 121.86(3.9) 2.W23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.54 C 0.45 C Shift Assignments>> C :: 176.877 CA :: 57.774 CB :: 28.931 CD1 :: 127.091 CE3 :: 120.851 CZ2 :: 114.613 CZ3 :: 121.936 CH2 :: 124.592 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 :: 7.852 HA :: 4.502 HB2 :: 3.279 HB3 :: 3.299 HD1 :: 7.264 HE1 :: 10.181 HE3 :: 7.527 HZ2 :: 7.441 HZ3 :: 7.093 HH2 :: 7.173 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 :: 118.551 NE1 :: 128.967 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 2.K24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.46 C 0.42 R 0.11 C Shift Assignments>> C :: 176.251 CA :: 56.887 CB :: 32.836 CG :: 24.697 CD :: 29.232 CE :: 42.164 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 :: 7.568 HA :: 4.059 HB2 :: 1.620 HB3 :: 1.706 HG2 :: 1.124 HG3 :: 1.124 HD2 :: 1.596 HD3 :: 1.596 HE2 :: 2.922 HE3 :: 2.922 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 :: 119.709 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.L25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.65 C 0.25 R 0.04 A 0.02 G 0.01 C Shift Assignments>> C :: 177.196 CA :: 54.926 CB :: 42.356 CG :: 26.946 CD1 :: 25.180 CD2 :: 23.370 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 :: 7.831 HA :: 4.285 HB2 :: 1.583 HB3 :: 1.651 HG :: 1.622 HD11 :: 0.905 HD12 :: 0.905 HD13 :: 0.905 HD21 :: 0.850 HD22 :: 0.850 HD23 :: 0.850 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 :: 120.149 Ave N Shift Values>> N :: 121.86(3.9) 2.L26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.74 C 0.17 A 0.06 R 0.01 HN Overlap>> 1.A63 1.A63 C Shift Assignments>> CA :: 53.052 CB :: 41.570 CG :: 27.040 CD1 :: 25.313 CD2 :: 23.155 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 :: 7.890 HA :: 4.585 HB2 :: 1.565 HB3 :: 1.627 HG :: 1.706 HD11 :: 0.926 HD12 :: 0.926 HD13 :: 0.926 HD21 :: 0.896 HD22 :: 0.896 HD23 :: 0.896 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 :: 122.897 Ave N Shift Values>> N :: 121.86(3.9) 2.P27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.77 C 0.22 C Shift Assignments>> C :: 177.674 CA :: 63.558 CB :: 31.889 CG :: 27.352 CD :: 50.528 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 :: 4.353 HB2 :: 1.912 HB3 :: 2.290 HG2 :: 1.993 HG3 :: 2.006 HD2 :: 3.649 HD3 :: 3.815 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 2.E28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.4 C 0.34 K 0.08 M 0.06 Q 0.06 I 0.04 C Shift Assignments>> C :: 176.410 CA :: 57.023 CB :: 29.946 CG :: 36.235 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 :: 8.714 HA :: 4.195 HB2 :: 1.967 HB3 :: 2.005 HG2 :: 2.236 HG3 :: 2.263 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 :: 119.367 Ave N Shift Values>> N :: 120.67(3.48) 2.N29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.48 D 0.2 C 0.08 F 0.07 Y 0.07 L 0.05 C Shift Assignments>> C :: 174.545 CA :: 53.232 CB :: 39.020 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 :: 8.292 HA :: 4.739 HB2 :: 2.734 HB3 :: 2.816 HD21 :: 6.788 HD22 :: 7.561 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 :: 118.356 ND2 :: 112.326 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 2.N30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.45 D 0.21 C 0.08 F 0.08 Y 0.07 L 0.06 C Shift Assignments>> C :: 174.694 CA :: 53.352 CB :: 39.152 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 :: 8.297 HA :: 4.722 HB2 :: 2.725 HB3 :: 2.820 HD21 :: 6.915 HD22 :: 7.561 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 :: 119.024 ND2 :: 112.345 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 2.V31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 V 0.49 C Shift Assignments>> C :: 176.013 CA :: 62.497 CB :: 35.993 CG1 :: 20.417 CG2 :: 20.417 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 :: 8.038 HA :: 4.094 HB :: 2.102 HG11 :: 0.922 HG12 :: 0.922 HG13 :: 0.922 HG21 :: 0.929 HG22 :: 0.929 HG23 :: 0.929 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 :: 119.607 Ave N Shift Values>> N :: 121.14(4.54) 2.L32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.63 C 0.25 R 0.06 A 0.02 G 0.01 HN Overlap>> 2.A70 2.A70 C Shift Assignments>> C :: 177.221 CA :: 54.954 CB :: 42.459 CG :: 27.033 CD1 :: 25.317 CD2 :: 23.505 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 :: 8.280 HA :: 4.389 HB2 :: 1.577 HB3 :: 1.653 HG :: 1.615 HD11 :: 0.921 HD12 :: 0.921 HD13 :: 0.921 HD21 :: 0.868 HD22 :: 0.868 HD23 :: 0.868 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 :: 124.759 Ave N Shift Values>> N :: 121.86(3.9) 2.S33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 56.172 CB :: 63.332 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.209 HA :: 4.730 HB2 :: 3.800 HB3 :: 3.857 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 :: 117.482 Ave N Shift Values>> N :: 116.28(3.52) 2.P34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.72 C 0.27 C Shift Assignments>> C :: 176.836 CA :: 62.952 CB :: 32.075 CG :: 27.195 CD :: 50.640 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 :: 1.945 HB3 :: 2.234 HG2 :: 2.042 HG3 :: 2.042 HD2 :: 3.659 HD3 :: 3.755 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 2.L35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.76 C 0.17 A 0.05 C Shift Assignments>> CA :: 53.188 CB :: 41.603 CG :: 26.885 CD1 :: 25.095 CD2 :: 23.354 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 :: 8.297 HA :: 4.583 HB2 :: 1.564 HB3 :: 1.628 HG :: 1.699 HD11 :: 0.933 HD12 :: 0.933 HD13 :: 0.933 HD21 :: 0.907 HD22 :: 0.907 HD23 :: 0.907 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 123.118 Ave N Shift Values>> N :: 121.86(3.9) 2.P36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.74 C 0.25 C Shift Assignments>> C :: 177.254 CA :: 63.227 CB :: 31.962 CG :: 27.352 CD :: 50.481 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 :: 4.425 HB2 :: 1.917 HB3 :: 2.304 HG2 :: 1.986 HG3 :: 1.989 HD2 :: 3.636 HD3 :: 3.830 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 2.S37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.526 CA :: 58.561 CB :: 63.693 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.342 HA :: 4.382 HB2 :: 3.828 HB3 :: 3.899 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 :: 115.186 Ave N Shift Values>> N :: 116.28(3.52) 2.Q38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.3 C 0.24 K 0.23 M 0.11 E 0.08 R 0.01 HN Overlap>> 1.E60 1.E60 C Shift Assignments>> C :: 175.568 CA :: 55.940 CB :: 29.861 CG :: 33.913 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 :: 8.387 HA :: 4.300 HB2 :: 2.053 HB3 :: 2.127 HG2 :: 2.360 HG3 :: 2.367 HE21 :: 6.880 HE22 :: 7.611 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 :: 121.665 NE2 :: 112.262 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 2.A39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.88 M 0.08 C 0.01 HN Overlap>> 2.A84 2.A79 2.A84 2.A79 C Shift Assignments>> C :: 178.259 CA :: 52.224 CB :: 19.183 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.284 HA :: 4.290 HB1 :: 1.383 HB2 :: 1.383 HB3 :: 1.383 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.469 Ave N Shift Values>> N :: 123.23(3.54) 2.M40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.5 C 0.37 A 0.12 C Shift Assignments>> C :: 176.324 CA :: 55.707 CB :: 32.177 CG :: 32.109 CE :: 17.046 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 :: 8.315 HA :: 4.438 HB2 :: 2.008 HB3 :: 2.099 HG2 :: 2.562 HG3 :: 2.671 HE1 :: 2.041 HE2 :: 2.041 HE3 :: 2.041 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 :: 118.819 Ave N Shift Values>> N :: 120.09(3.57) 2.D41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.14 L 0.12 M 0.09 H 0.07 N 0.07 Q 0.07 R 0.06 A 0.05 K 0.05 C 0.05 W 0.04 E 0.04 F 0.03 Y 0.03 S 0.01 C Shift Assignments>> C :: 176.304 CA :: 54.920 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 :: 8.242 HA :: 4.535 HB2 :: 2.638 HB3 :: 2.651 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 120.451 Ave N Shift Values>> N :: 120.65(3.86) 2.D42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.29 L 0.21 F 0.11 K 0.1 N 0.09 Y 0.08 C 0.06 R 0.01 C Shift Assignments>> C :: 176.501 CA :: 54.787 CB :: 41.033 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 :: 8.228 HA :: 4.537 HB2 :: 2.622 HB3 :: 2.653 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 :: 119.647 Ave N Shift Values>> N :: 120.65(3.86) 2.L43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.64 C 0.29 R 0.03 A 0.01 C Shift Assignments>> C :: 177.481 CA :: 55.439 CB :: 42.099 CG :: 26.916 CD1 :: 25.137 CD2 :: 23.519 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 :: 8.040 HA :: 4.218 HB2 :: 1.519 HB3 :: 1.656 HG :: 1.585 HD11 :: 0.869 HD12 :: 0.869 HD13 :: 0.869 HD21 :: 0.779 HD22 :: 0.779 HD23 :: 0.779 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 :: 120.945 Ave N Shift Values>> N :: 121.86(3.9) 2.M44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.5 C 0.35 A 0.14 C Shift Assignments>> C :: 175.784 CA :: 55.444 CB :: 32.330 CG :: 32.170 CE :: 17.052 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 :: 8.149 HA :: 4.423 HB2 :: 2.021 HB3 :: 2.021 HG2 :: 2.470 HG3 :: 2.557 HE1 :: 2.037 HE2 :: 2.037 HE3 :: 2.037 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 :: 119.351 Ave N Shift Values>> N :: 120.09(3.57) 2.L45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.65 C 0.24 R 0.05 A 0.02 G 0.01 C Shift Assignments>> C :: 176.954 CA :: 54.654 CB :: 42.384 CG :: 27.050 CD1 :: 25.229 CD2 :: 23.442 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 :: 8.004 HA :: 4.423 HB2 :: 1.573 HB3 :: 1.649 HG :: 1.611 HD11 :: 0.863 HD12 :: 0.863 HD13 :: 0.863 HD21 :: 0.819 HD22 :: 0.819 HD23 :: 0.819 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 :: 122.160 Ave N Shift Values>> N :: 121.86(3.9) 2.S46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 56.011 CB :: 63.582 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.706 HA :: 4.753 HB2 :: 3.887 HB3 :: 3.958 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 :: 118.466 Ave N Shift Values>> N :: 116.28(3.52) 2.P47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.83 C 0.15 C Shift Assignments>> C :: 176.926 CA :: 64.426 CB :: 31.797 CG :: 27.430 CD :: 50.540 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 :: 4.283 HB2 :: 1.941 HB3 :: 2.232 HG2 :: 2.022 HG3 :: 2.022 HD2 :: 3.631 HD3 :: 3.792 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 2.D48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.25 L 0.21 F 0.14 K 0.12 Y 0.11 C 0.06 N 0.06 R 0.01 HN Overlap>> 1.C44 1.C44 C Shift Assignments>> C :: 176.056 CA :: 55.429 CB :: 41.048 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 :: 8.126 HA :: 4.471 HB2 :: 2.516 HB3 :: 2.668 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 :: 117.231 Ave N Shift Values>> N :: 120.65(3.86) 2.D49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.28 L 0.22 K 0.12 F 0.11 Y 0.08 N 0.08 C 0.06 R 0.01 HN Overlap>> 2.W53 2.W53 C Shift Assignments>> C :: 176.986 CA :: 54.835 CB :: 41.148 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 :: 7.940 HA :: 4.506 HB2 :: 2.646 HB3 :: 2.691 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 :: 119.678 Ave N Shift Values>> N :: 120.65(3.86) 2.I50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.75 C 0.24 C Shift Assignments>> CA :: 62.602 CB :: 38.452 CG1 :: 27.921 CG2 :: 17.615 CD1 :: 13.346 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 :: 7.754 HA :: 3.823 HB :: 1.817 HG12 :: 1.070 HG13 :: 1.416 HG21 :: 0.792 HG22 :: 0.792 HG23 :: 0.792 HD11 :: 0.768 HD12 :: 0.768 HD13 :: 0.768 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 :: 118.967 Ave N Shift Values>> N :: 121.46(4.28) 2.E51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.39 C 0.35 K 0.08 I 0.07 Q 0.05 M 0.03 HN Overlap>> 1.D4 1.D4 C Shift Assignments>> C :: 177.545 CA :: 57.904 CB :: 29.691 CG :: 36.284 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 :: 8.168 HA :: 3.967 HB2 :: 1.899 HB3 :: 2.024 HG2 :: 2.178 HG3 :: 2.177 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 :: 121.128 Ave N Shift Values>> N :: 120.67(3.48) 2.Q52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.29 K 0.28 C 0.25 R 0.05 E 0.05 M 0.04 C Shift Assignments>> C :: 175.995 CA :: 56.620 CB :: 28.918 CG :: 33.660 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 :: 7.970 HA :: 4.120 HB2 :: 1.860 HB3 :: 1.890 HG2 :: 2.125 HG3 :: 2.131 HE21 :: 6.773 HE22 :: 7.422 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 :: 117.919 NE2 :: 111.890 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 2.W53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.53 C 0.46 HN Overlap>> 2.D49 2.D49 C Shift Assignments>> C :: 176.049 CA :: 57.369 CB :: 29.725 CD1 :: 126.695 CE3 :: 120.598 CZ2 :: 114.428 CZ3 :: 121.491 CH2 :: 124.219 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 :: 7.871 HA :: 4.555 HB2 :: 3.020 HB3 :: 3.021 HD1 :: 7.016 HE1 :: 10.068 HE3 :: 7.410 HZ2 :: 7.348 HZ3 :: 6.958 HH2 :: 7.060 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 :: 119.632 NE1 :: 128.548 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 2.F54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.67 C 0.32 C Shift Assignments>> C :: 175.373 CA :: 57.525 CB :: 39.529 CD1 :: 131.843 CD2 :: 131.843 CE1 :: 131.286 CE2 :: 131.286 CZ :: 129.349 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 :: 7.923 HA :: 4.643 HB2 :: 2.863 HB3 :: 3.066 HD1 :: 7.173 HD2 :: 7.173 HE1 :: 7.295 HE2 :: 7.295 HZ :: 7.125 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 :: 118.710 Ave N Shift Values>> N :: 120.45(4.18) 2.T55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.9 C 0.09 C Shift Assignments>> C :: 173.490 CA :: 61.819 CB :: 69.891 CG2 :: 21.479 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 :: 7.887 HA :: 4.289 HB :: 4.160 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 :: 114.621 Ave N Shift Values>> N :: 115.42(4.75) 2.E56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.4 C 0.34 M 0.14 Q 0.05 K 0.03 I 0.01 C Shift Assignments>> C :: 175.637 CA :: 56.180 CB :: 30.665 CG :: 36.303 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 :: 8.287 HA :: 4.242 HB2 :: 1.911 HB3 :: 2.046 HG2 :: 2.214 HG3 :: 2.279 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 :: 122.837 Ave N Shift Values>> N :: 120.67(3.48) 2.D57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.38 N 0.21 L 0.19 K 0.05 C 0.05 F 0.05 Y 0.03 C Shift Assignments>> CA :: 52.313 CB :: 41.177 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 :: 8.395 HA :: 4.811 HB2 :: 2.513 HB3 :: 2.723 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 :: 122.781 Ave N Shift Values>> N :: 120.65(3.86) 2.P58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.75 C 0.24 C Shift Assignments>> C :: 177.538 CA :: 63.302 CB :: 32.229 CG :: 26.971 CD :: 50.444 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 :: 4.421 HB2 :: 1.902 HB3 :: 2.231 HG2 :: 1.992 HG3 :: 1.992 HD2 :: 3.638 HD3 :: 3.768 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 2.G59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.5 L 0.24 R 0.13 C 0.04 F 0.03 D 0.02 Y 0.01 C Shift Assignments>> CA :: 44.480 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.401 HA2 :: 4.009 HA3 :: 4.074 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.848 Ave N Shift Values>> N :: 109.67(3.87) 2.P60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.75 C 0.24 C Shift Assignments>> C :: 177.195 CA :: 63.320 CB :: 32.165 CG :: 27.066 CD :: 49.670 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 :: 4.411 HB2 :: 1.911 HB3 :: 2.253 HG2 :: 1.983 HG3 :: 1.983 HD2 :: 3.586 HD3 :: 3.620 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 2.D61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 L 0.22 K 0.1 F 0.1 N 0.09 Y 0.08 C 0.05 R 0.01 HN Overlap>> 1.E73 1.E73 C Shift Assignments>> C :: 176.154 CA :: 54.554 CB :: 41.099 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 :: 8.454 HA :: 4.579 HB2 :: 2.589 HB3 :: 2.711 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 :: 119.570 Ave N Shift Values>> N :: 120.65(3.86) 2.E62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.39 C 0.34 M 0.16 Q 0.04 K 0.03 I 0.01 C Shift Assignments>> C :: 175.731 CA :: 56.100 CB :: 30.770 CG :: 36.282 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 :: 8.143 HA :: 4.275 HB2 :: 1.908 HB3 :: 2.029 HG2 :: 2.215 HG3 :: 2.276 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 :: 120.545 Ave N Shift Values>> N :: 120.67(3.48) 2.A63 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>> CA :: 50.531 CB :: 18.149 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.282 HA :: 4.580 HB1 :: 1.360 HB2 :: 1.360 HB3 :: 1.360 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.231 Ave N Shift Values>> N :: 123.23(3.54) 2.P64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.72 C 0.27 C Shift Assignments>> C :: 176.915 CA :: 62.910 CB :: 32.074 CG :: 27.398 CD :: 50.439 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 :: 4.382 HB2 :: 1.911 HB3 :: 2.298 HG2 :: 2.010 HG3 :: 2.010 HD2 :: 3.632 HD3 :: 3.791 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 2.R65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.5 C 0.36 G 0.06 K 0.06 HN Overlap>> 2.E17 2.E17 C Shift Assignments>> C :: 176.315 CA :: 55.709 CB :: 30.976 CG :: 27.130 CD :: 43.341 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 :: 8.469 HA :: 4.322 HB2 :: 1.739 HB3 :: 1.813 HG2 :: 1.638 HG3 :: 1.667 HD2 :: 3.193 HD3 :: 3.193 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 :: 121.536 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 2.M66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 M 0.42 A 0.11 C Shift Assignments>> CA :: 53.177 CB :: 32.233 CE :: 14.852 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 :: 8.505 HA :: 4.798 HB2 :: 1.963 HB3 :: 2.083 HG2 :: 2.622 HG3 :: 2.622 HE1 :: 2.020 HE2 :: 2.020 HE3 :: 2.020 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 :: 122.996 Ave N Shift Values>> N :: 120.09(3.57) 2.P67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.74 C 0.25 C Shift Assignments>> C :: 176.969 CA :: 63.152 CB :: 32.098 CG :: 27.349 CD :: 50.713 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 :: 4.413 HB2 :: 1.922 HB3 :: 2.293 HG2 :: 1.991 HG3 :: 2.000 HD2 :: 3.705 HD3 :: 3.813 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 2.E68 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.31 K 0.27 M 0.22 Q 0.13 R 0.04 HN Overlap>> 1.D61 1.D61 C Shift Assignments>> C :: 176.224 CA :: 56.460 CB :: 29.964 CG :: 31.825(S) Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.539 HA :: 4.240 HB2 :: 1.966 HG2 :: 2.292 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 :: 120.890 Ave N Shift Values>> N :: 120.67(3.48) 2.A69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.89 M 0.07 C 0.01 HN Overlap>> 2.A88 2.A88 C Shift Assignments>> C :: 177.064 CA :: 52.138 CB :: 19.331 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.329 HA :: 4.301 HB1 :: 1.390 HB2 :: 1.390 HB3 :: 1.390 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.243 Ave N Shift Values>> N :: 123.23(3.54) 2.A70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.92 M 0.06 HN Overlap>> 2.L32 2.L32 C Shift Assignments>> CA :: 50.294 CB :: 18.321 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.279 HA :: 4.572 HB1 :: 1.352 HB2 :: 1.352 HB3 :: 1.352 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.753 Ave N Shift Values>> N :: 123.23(3.54) 2.P71 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.P72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.71 C 0.28 C Shift Assignments>> C :: 176.986 CA :: 62.789 CB :: 31.999 CG :: 27.245 CD :: 50.423 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 :: 4.454 HB2 :: 1.917 HB3 :: 2.284 HG2 :: 1.988 HD2 :: 3.659 HD3 :: 3.807 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 2.V73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.64 C 0.35 HN Overlap>> 1.E24 1.E24 C Shift Assignments>> C :: 175.526 CA :: 61.928 CB :: 32.826 CG1 :: 20.999 CG2 :: 20.930 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 :: 8.170 HA :: 4.062 HB :: 2.012 HG11 :: 0.940 HG12 :: 0.940 HG13 :: 0.940 HG21 :: 0.940 HG22 :: 0.940 HG23 :: 0.940 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 :: 120.048 Ave N Shift Values>> N :: 121.14(4.54) 2.A74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.92 M 0.06 C Shift Assignments>> CA :: 50.322 CB :: 18.391 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.403 HA :: 4.591 HB1 :: 1.361 HB2 :: 1.361 HB3 :: 1.361 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 129.229 Ave N Shift Values>> N :: 123.23(3.54) 2.P75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.7 C 0.29 C Shift Assignments>> C :: 176.326 CA :: 62.661 CB :: 32.029 CG :: 27.195 CD :: 50.320 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 :: 4.401 HB2 :: 1.881 HB3 :: 2.275 HG2 :: 1.966 HD2 :: 3.649 HD3 :: 3.780 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 2.A76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.91 M 0.07 HN Overlap>> 2.A86 2.A86 C Shift Assignments>> CA :: 50.370 CB :: 18.227 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.378 HA :: 4.602 HB1 :: 1.364 HB2 :: 1.364 HB3 :: 1.364 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.383 Ave N Shift Values>> N :: 123.23(3.54) 2.P77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.7 C 0.29 C Shift Assignments>> C :: 176.590 CA :: 62.705 CB :: 31.893 CG :: 27.272 CD :: 50.388 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 :: 4.393 HB2 :: 1.919 HB3 :: 2.298 HG2 :: 2.029 HD2 :: 3.684 HD3 :: 3.816 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 2.A78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.9 M 0.06 C 0.01 HN Overlap>> 2.A83 2.A83 C Shift Assignments>> C :: 177.168 CA :: 52.102 CB :: 19.473 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.367 HA :: 4.280 HB1 :: 1.383 HB2 :: 1.383 HB3 :: 1.383 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.237 Ave N Shift Values>> N :: 123.23(3.54) 2.A79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.91 M 0.07 HN Overlap>> 2.A84 2.A84 2.A39 2.A39 C Shift Assignments>> CA :: 50.309 CB :: 18.101 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.290 HA :: 4.581 HB1 :: 1.380 HB2 :: 1.380 HB3 :: 1.380 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.518 Ave N Shift Values>> N :: 123.23(3.54) 2.P80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.71 C 0.28 C Shift Assignments>> C :: 176.970 CA :: 62.855 CB :: 32.082 CG :: 27.276 CD :: 50.460 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 :: 4.469 HB2 :: 1.908 HB3 :: 2.300 HG2 :: 1.984 HD2 :: 3.678 HD3 :: 3.792 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 2.T81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.83 C 0.16 HN Overlap>> 1.S45 1.S45 C Shift Assignments>> CA :: 59.805 CB :: 69.715 CG2 :: 21.455 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 :: 8.322 HA :: 4.571 HB :: 4.142 HG21 :: 1.270 HG22 :: 1.270 HG23 :: 1.270 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 117.018 Ave N Shift Values>> N :: 115.42(4.75) 2.P82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.72 C 0.27 C Shift Assignments>> C :: 176.602 CA :: 62.976 CB :: 32.119 CG :: 27.304 CD :: 50.835 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 :: 4.393 HB2 :: 1.927 HB3 :: 2.306 HG2 :: 1.975 HD2 :: 3.703 HD3 :: 3.860 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 2.A83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.89 M 0.07 C 0.01 HN Overlap>> 2.A78 2.A78 C Shift Assignments>> C :: 177.334 CA :: 52.161 CB :: 19.298 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.367 HA :: 4.287 HB1 :: 1.379 HB2 :: 1.379 HB3 :: 1.379 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.221 Ave N Shift Values>> N :: 123.23(3.54) 2.A84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.9 M 0.08 HN Overlap>> 2.A79 2.A39 2.A79 2.A39 C Shift Assignments>> CA :: 50.344 CB :: 18.037 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.270 HA :: 4.590 HB1 :: 1.361 HB2 :: 1.361 HB3 :: 1.361 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.531 Ave N Shift Values>> N :: 123.23(3.54) 2.P85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.7 C 0.29 C Shift Assignments>> C :: 176.332 CA :: 62.683 CB :: 32.043 CG :: 27.248 CD :: 50.313 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 :: 4.398 HB2 :: 1.884 HB3 :: 2.274 HG2 :: 1.965 HD2 :: 3.650 HD3 :: 3.781 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 2.A86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.91 M 0.07 HN Overlap>> 2.A76 2.A76 C Shift Assignments>> CA :: 50.339 CB :: 18.224 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.384 HA :: 4.594 HB1 :: 1.360 HB2 :: 1.360 HB3 :: 1.360 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.388 Ave N Shift Values>> N :: 123.23(3.54) 2.P87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.23 T 0.21 I 0.17 P 0.16 S 0.1 C 0.04 F 0.01 Y 0.01 W 0.01 C Shift Assignments>> C :: 176.001 CA :: 62.664 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 :: 4.401 HB2 :: 1.887 HB3 :: 2.281 HG2 :: 2.008 HD2 :: 3.655 HD3 :: 3.782 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 2.A88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.91 M 0.07 HN Overlap>> 2.A69 2.A69 C Shift Assignments>> CA :: 50.373 CB :: 18.230 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 :: 4.581 HB1 :: 1.363 HB2 :: 1.363 HB3 :: 1.363 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.205 Ave N Shift Values>> N :: 123.23(3.54) 2.P89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.68 C 0.25 R 0.03 K 0.01 C Shift Assignments>> C :: 176.705 CA :: 62.953 CB :: 31.933 CG :: 27.261 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 :: 4.312 HB2 :: 2.017 HB3 :: 2.017 HG2 :: 1.647 HG3 :: 1.647 HD2 :: 3.773 HD3 :: 3.650 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 2.S90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.28 P 0.21 V 0.18 T 0.15 I 0.11 C 0.02 C Shift Assignments>> C :: 173.113 CB :: 63.899 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.139 HA :: 4.364 HB2 :: 3.747 HB3 :: 3.747 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 :: 115.323 Ave N Shift Values>> N :: 116.28(3.52) 2.W91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.64 C 0.35 C Shift Assignments>> CA :: 54.725 CB :: 29.314 CD1 :: 127.477 CE3 :: 120.902 CZ2 :: 114.644 CZ3 :: 122.116 CH2 :: 124.620 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 :: 8.037 HA :: 5.011 HB2 :: 3.347 HB3 :: 3.140 HD1 :: 7.261 HE1 :: 10.148 HE3 :: 7.713 HZ2 :: 7.513 HZ3 :: 7.180 HH2 :: 7.251 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 :: 123.450 NE1 :: 128.823 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 2.P92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.75 C 0.24 C Shift Assignments>> C :: 175.851 CA :: 63.334 CB :: 31.844 CG :: 27.237 CD :: 50.720 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 :: 4.446 HB2 :: 2.240 HB3 :: 1.977 HG2 :: 1.977 HG3 :: 1.977 HD2 :: 3.781 HD3 :: 3.502 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 2.L93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.5 C 0.31 G 0.08 R 0.08 C Shift Assignments>> CA :: 56.748 CB :: 43.517 CG :: 27.206 CD1 :: 25.184 CD2 :: 23.598 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 :: 7.824 HA :: 4.218 HB2 :: 1.601 HB3 :: 1.601 HG :: 1.650 HD11 :: 0.921 HD12 :: 0.921 HD13 :: 0.921 HD21 :: 0.902 HD22 :: 0.902 HD23 :: 0.902 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 :: 127.919 Ave N Shift Values>> N :: 121.86(3.9) ########################################################################### Overall Results: #Consistent: 172 #Clerical: 0 #Suspicious: 3 #Anomalous: 1 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 173 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 3 Shift Relative Order (SRO) Results: #Consistent: 175 #Suspicious: 1 C Shift Results: #Consistent: 748 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 H Shift Results: #Consistent:1164 #Duplicate: 0 #Unknown: 0 #Suspicious: 7 #Anomalous: 1 N Shift Results: #Consistent: 159 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.Y15 HD1 = 5.811(S), Expected = 6.93, Std = 0.3000, ChiSquare = 1.9148e-04 1.Y15 HD2 = 5.811(S), Expected = 6.93, Std = 0.3000, ChiSquare = 1.9148e-04 1.K56 HG2 = -0.012(S), Expected = 1.37, Std = 0.2600, ChiSquare = 1.0643e-07 1.K56 HD2 = 0.819(S), Expected = 1.61, Std = 0.2200, ChiSquare = 3.2383e-04 1.K56 HD3 = 0.866(S), Expected = 1.60, Std = 0.2200, ChiSquare = 8.4882e-04 1.K56 HE2 = 1.245(A), Expected = 2.92, Std = 0.1900, ChiSquare = 1.1884e-18 1.K56 HE3 = 1.928(S), Expected = 2.91, Std = 0.2000, ChiSquare = 9.1076e-07 1.K56 SRO Rule Break>> HE2 > HB2 : 0.997029997029997 1.K56 SRO Rule Break>> HE2 > HB3 : 0.995656220912194 1.M62 HB2 = 0.495(S), Expected = 2.03, Std = 0.3400, ChiSquare = 6.3405e-06 2.E68 CG = 31.825(S), Expected = 36.11, Std = 1.1900, ChiSquare = 3.1719e-04