Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 7.718 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 115.925 Ave N Shift Values>> N :: 109.67(3.87) 1.S2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.M4 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.A5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> A 0.55 V 0.18 I 0.1 M 0.08 T 0.04 C 0.02 C Shift Assignments>> CB :: 19.508 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> HB1 :: 1.321 HB2 :: 1.321 HB3 :: 1.321 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) 1.S6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 58.735 CB :: 64.066 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.654 HA :: 4.605 HB2 :: 4.022 HB3 :: 3.921 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 :: 119.266 Ave N Shift Values>> N :: 116.28(3.52) 1.T7 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>> CA :: 61.674 CB :: 70.387 CG2 :: 21.766 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 :: 8.712 HA :: 4.480 HB :: 4.516 HG21 :: 1.308 HG22 :: 1.308 HG23 :: 1.308 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 122.839 Ave N Shift Values>> N :: 115.42(4.75) 1.E8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.37 E 0.34 I 0.19 K 0.05 Q 0.02 M 0.01 C Shift Assignments>> CA :: 59.174 CB :: 29.285 CG :: 36.580 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> HA :: 4.008 HB2 :: 2.060 HB3 :: 2.060 HG2 :: 2.424 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) 1.E9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 E 0.3 I 0.2 K 0.02 M 0.01 C Shift Assignments>> CA :: 59.692 CB :: 29.977 CG :: 37.063 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 :: 8.479 HA :: 4.149 HB2 :: 2.185 HB3 :: 2.083 HG2 :: 2.339 HG3 :: 2.339 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.133 Ave N Shift Values>> N :: 120.67(3.48) 1.D10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.23 Y 0.2 L 0.15 D 0.14 C 0.1 K 0.09 I 0.03 N 0.02 C Shift Assignments>> CA :: 56.973 CB :: 40.682 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 :: 8.184 HA :: 4.869 HB2 :: 3.035 HB3 :: 2.932 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 :: 119.294 Ave N Shift Values>> N :: 120.65(3.86) 1.R11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 R 0.4 K 0.05 G 0.04 C Shift Assignments>> CA :: 59.897 CB :: 29.347 CG :: 27.300 CD :: 43.000 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.075 HA :: 3.798 HB2 :: 1.708 HB3 :: 1.655 HG2 :: 1.431 HG3 :: 1.240 HD2 :: 2.901 HD3 :: 2.947 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 :: 121.246 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.F12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.38 Y 0.21 C 0.18 F 0.18 E 0.01 C Shift Assignments>> CA :: 60.748 CB :: 38.509 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 :: 7.990 HA :: 4.397 HB2 :: 2.971 HB3 :: 2.971 HD1 :: 7.257 HD2 :: 7.257 HE1 :: 7.257 HE2 :: 7.257 HZ :: 7.257 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 :: 116.556 Ave N Shift Values>> N :: 120.45(4.18) 1.S13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 63.246 CB :: 62.596 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.554 HA :: 4.457 HB2 :: 4.141 HB3 :: 3.997 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 :: 118.527 Ave N Shift Values>> N :: 116.28(3.52) 1.L14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.67 L 0.3 A 0.01 C Shift Assignments>> CA :: 58.325 CB :: 39.803 CG :: 26.688 CD1 :: 25.256 CD2 :: 21.270 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 :: 8.775 HA :: 3.923 HB2 :: 1.408 HB3 :: 0.463 HG :: 1.038 HD11 :: 0.279 HD12 :: 0.279 HD13 :: 0.279 HD21 :: 0.182 HD22 :: 0.182 HD23 :: 0.182 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 :: 125.009 Ave N Shift Values>> N :: 121.86(3.9) 1.E15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 E 0.34 I 0.19 K 0.06 Q 0.02 M 0.01 C Shift Assignments>> CA :: 59.239 CB :: 29.265 CG :: 36.521 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 :: 7.773 HA :: 3.953 HB2 :: 2.052 HB3 :: 2.052 HG2 :: 2.383 HG3 :: 2.192 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.386 Ave N Shift Values>> N :: 120.67(3.48) 1.A16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.48 M 0.43 C 0.03 I 0.02 C Shift Assignments>> CA :: 55.114 CB :: 18.698 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.656 HA :: 4.120 HB1 :: 1.416 HB2 :: 1.416 HB3 :: 1.416 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.550 Ave N Shift Values>> N :: 123.23(3.54) 1.L17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 L 0.44 R 0.02 C Shift Assignments>> CA :: 58.101 CB :: 41.163 CG :: 27.846 CD1 :: 25.367 CD2 :: 22.689 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 :: 8.472 HA :: 3.909 HB2 :: 1.969 HB3 :: 1.372 HG :: 1.614 HD11 :: 0.719 HD12 :: 0.719 HD13 :: 0.719 HD21 :: 0.546 HD22 :: 0.546 HD23 :: 0.546 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 118.297 Ave N Shift Values>> N :: 121.86(3.9) 1.Q18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.19 I 0.18 W 0.13 K 0.1 R 0.09 Q 0.08 E 0.08 H 0.06 L 0.02 HN Overlap>> 1.I41 1.I41 C Shift Assignments>> CA :: 59.539 CB :: 28.211 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 :: 8.953 HA :: 3.953 HB2 :: 2.263 HB3 :: 2.022 HE21 :: 6.749 HE22 :: 7.108 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 119.545 NE2 :: 110.351 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.T19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.97 C 0.02 C Shift Assignments>> CA :: 66.867 CB :: 68.352 CG2 :: 21.790 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 :: 7.913 HA :: 3.926 HB :: 4.589 HG21 :: 1.258 HG22 :: 1.258 HG23 :: 1.258 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 :: 119.206 Ave N Shift Values>> N :: 115.42(4.75) 1.I20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.87 C 0.12 C Shift Assignments>> CA :: 65.230 CB :: 38.772 CG1 :: 29.282 CG2 :: 17.085 CD1 :: 13.568 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.258 HA :: 3.612 HB :: 1.671 HG12 :: 1.760 HG13 :: 0.960 HG21 :: 0.611 HG22 :: 0.611 HG23 :: 0.611 HD11 :: 0.569 HD12 :: 0.569 HD13 :: 0.569 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 124.363 Ave N Shift Values>> N :: 121.46(4.28) 1.H21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.33 C 0.22 P 0.22 W 0.07 K 0.03 R 0.03 E 0.02 H 0.02 I 0.01 M 0.01 HN Overlap>> 1.L144 1.L144 C Shift Assignments>> CA :: 61.732 CB :: 31.917 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 :: 8.806 HA :: 3.511 HB2 :: 3.197 HB3 :: 2.958 HD2 :: 6.400 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 :: 120.027 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.K22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 K 0.42 R 0.1 C Shift Assignments>> CA :: 59.214 CB :: 32.696 CG :: 25.551 CD :: 29.469 CE :: 41.839 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 :: 8.055 HA :: 4.074 HB2 :: 2.048 HB3 :: 1.959 HG2 :: 1.555 HG3 :: 1.686 HD2 :: 1.755 HD3 :: 1.755 HE2 :: 2.980 HE3 :: 2.980 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 :: 116.304 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Q23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 Q 0.26 K 0.25 R 0.07 E 0.05 I 0.01 M 0.01 C Shift Assignments>> CA :: 58.189 CB :: 28.314 CG :: 33.847 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 :: 7.743 HA :: 3.956 HB2 :: 2.162 HB3 :: 2.262 HG2 :: 2.549 HG3 :: 2.396 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 :: 117.291 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.M24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.63 M 0.33 I 0.02 C Shift Assignments>> CA :: 58.463 CB :: 35.142 CG :: 31.021 CE :: 15.807 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 :: 7.557 HA :: 3.765 HB2 :: 1.456 HB3 :: 1.456 HG2 :: 1.932 HG3 :: 1.932 HE1 :: 1.508 HE2 :: 1.508 HE3 :: 1.508 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 :: 116.543 Ave N Shift Values>> N :: 120.09(3.57) 1.D25 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> N 0.58 D 0.17 C 0.08 F 0.05 Y 0.05 L 0.04 C Shift Assignments>> CA :: 52.449 CB :: 38.871 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 :: 7.893 HA :: 4.480 HB2 :: 2.676 HB3 :: 1.690(S) 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 :: 117.043 Ave N Shift Values>> N :: 120.65(3.86) 1.D26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.23 F 0.19 L 0.15 Y 0.15 C 0.08 D 0.08 R 0.04 I 0.03 C Shift Assignments>> CA :: 57.678 CB :: 41.576 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 :: 7.726 HA :: 4.358 HB2 :: 2.819 HB3 :: 2.739 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 127.878 Ave N Shift Values>> N :: 120.65(3.86) 1.D27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.51 D 0.18 C 0.08 F 0.07 Y 0.07 L 0.05 C Shift Assignments>> CA :: 53.099 CB :: 38.923 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 :: 8.386 HA :: 4.521 HB2 :: 3.099 HB3 :: 2.689 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 :: 114.053 Ave N Shift Values>> N :: 120.65(3.86) 1.K28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 R 0.3 K 0.17 L 0.07 G 0.01 C Shift Assignments>> CA :: 57.027 CB :: 28.690 CG :: 24.556 CD :: 28.304 CE :: 42.229 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 :: 7.827 HA :: 3.922 HB2 :: 2.054 HB3 :: 1.994 HG2 :: 1.403 HG3 :: 1.403 HD2 :: 1.818 HD3 :: 1.818 HE2 :: 3.079 HE3 :: 3.031 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 :: 114.050 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 N 0.31 L 0.12 F 0.08 Y 0.07 C 0.06 K 0.01 C Shift Assignments>> CA :: 53.405 CB :: 40.099 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 :: 8.342 HA :: 4.513 HB2 :: 3.166 HB3 :: 2.583 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 118.552 Ave N Shift Values>> N :: 120.65(3.86) 1.G30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.78 L 0.12 C 0.03 R 0.02 F 0.01 C Shift Assignments>> CA :: 45.104 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 10.317 HA2 :: 4.527 HA3 :: 3.554 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.552 Ave N Shift Values>> N :: 109.67(3.87) 1.G31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.21 L 0.2 K 0.19 F 0.14 Y 0.09 I 0.04 C 0.04 N 0.02 R 0.01 C Shift Assignments>> CA :: 41.510 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.258 HA2 :: 4.257 HA3 :: 4.257 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.090 Ave N Shift Values>> N :: 109.67(3.87) 1.I32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.68 C 0.3 C Shift Assignments>> CA :: 62.590 CB :: 38.760 CG1 :: 26.244 CG2 :: 18.876 CD1 :: 15.797 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 9.295 HA :: 4.010 HB :: 1.684 HG12 :: 0.292 HG13 :: 0.970 HG21 :: 0.918 HG22 :: 0.918 HG23 :: 0.918 HD11 :: 0.671 HD12 :: 0.671 HD13 :: 0.671 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 :: 128.806 Ave N Shift Values>> N :: 121.46(4.28) 1.E33 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Suspicious PRTL>> C 0.63 M 0.19 E 0.15 C Shift Assignments>> CA :: 54.933 CB :: 32.773 CG :: 37.548 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.163 HA :: 4.818 HB2 :: 1.699 HB3 :: 1.699 HG2 :: 2.630 HG3 :: 2.630 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 :: 132.288(S) Ave N Shift Values>> N :: 120.67(3.48) 1.V34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.86 C 0.13 C Shift Assignments>> CA :: 65.908 CB :: 31.252 CG1 :: 20.092 CG2 :: 20.365 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.898 HA :: 3.499 HB :: 1.939 HG11 :: 0.846 HG12 :: 0.846 HG13 :: 0.846 HG21 :: 0.642 HG22 :: 0.642 HG23 :: 0.642 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 :: 119.206 Ave N Shift Values>> N :: 121.14(4.54) 1.E35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 E 0.28 I 0.25 K 0.06 Q 0.03 C Shift Assignments>> CA :: 59.419 CB :: 28.472 CG :: 36.317 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.457 HA :: 4.275 HB2 :: 2.081 HB3 :: 2.081 HG2 :: 2.370 HG3 :: 2.370 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.546 Ave N Shift Values>> N :: 120.67(3.48) 1.E36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.38 C 0.35 I 0.13 K 0.08 Q 0.03 C Shift Assignments>> CA :: 57.590 CB :: 28.800 CG :: 36.644 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 :: 7.161 HA :: 4.361 HB2 :: 2.641 HB3 :: 2.641 HG2 :: 2.401 HG3 :: 2.401 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.835 Ave N Shift Values>> N :: 120.67(3.48) 1.S37 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 9.064 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 :: 118.386 Ave N Shift Values>> N :: 116.28(3.52) 1.D38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.23 F 0.21 Y 0.16 L 0.13 C 0.09 D 0.05 R 0.05 I 0.04 HN Overlap>> 1.K109 1.K109 C Shift Assignments>> CA :: 58.189 CB :: 41.646 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 :: 8.071 HA :: 4.215 HB2 :: 2.545 HB3 :: 2.545 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 :: 122.496 Ave N Shift Values>> N :: 120.65(3.86) 1.E39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 E 0.33 I 0.16 K 0.04 M 0.02 Q 0.01 C Shift Assignments>> CA :: 59.807 CB :: 29.925 CG :: 36.452 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 :: 7.336 HA :: 3.954 HB2 :: 2.254 HB3 :: 2.254 HG2 :: 2.388 HG3 :: 2.388 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 :: 116.529 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>> I 0.31 F 0.26 Y 0.23 C 0.15 K 0.01 L 0.01 C Shift Assignments>> CA :: 60.785 CB :: 40.269 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 :: 8.029 HA :: 4.721 HB2 :: 3.523 HB3 :: 3.208 HD1 :: 7.275 HD2 :: 7.275 HE1 :: 7.275 HE2 :: 7.275 HZ :: 7.275 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 :: 120.042 Ave N Shift Values>> N :: 120.45(4.18) 1.I41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.73 C 0.26 HN Overlap>> 1.Q18 1.Q18 C Shift Assignments>> CA :: 65.230 CB :: 39.073 CG1 :: 30.472 CG2 :: 18.848 CD1 :: 14.742 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.876 HA :: 3.561 HB :: 2.100 HG12 :: 2.329 HG13 :: 1.173 HG21 :: 0.966 HG22 :: 0.966 HG23 :: 0.966 HD11 :: 0.969 HD12 :: 0.969 HD13 :: 0.969 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 :: 119.558 Ave N Shift Values>> N :: 121.46(4.28) 1.R42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 K 0.27 R 0.23 G 0.03 C Shift Assignments>> CA :: 59.009 CB :: 31.941 CG :: 28.858 CD :: 42.954 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 :: 7.868 HA :: 4.349 HB2 :: 1.820 HB3 :: 1.820 HG2 :: 1.539 HG3 :: 1.539 HD2 :: 3.273 HD3 :: 3.190 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 116.058 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.E43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.32 K 0.09 Q 0.09 M 0.06 I 0.04 C Shift Assignments>> CA :: 57.505 CB :: 29.963 CG :: 35.903 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 :: 8.839 HA :: 4.318 HB2 :: 2.001 HB3 :: 2.123 HG2 :: 2.396 HG3 :: 2.210 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 :: 116.058 Ave N Shift Values>> N :: 120.67(3.48) 1.D44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.23 Y 0.21 D 0.16 L 0.14 C 0.1 N 0.04 K 0.03 I 0.03 C Shift Assignments>> CA :: 56.617 CB :: 40.263 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 :: 8.016 HA :: 4.394 HB2 :: 1.995 HB3 :: 1.907 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 :: 119.675 Ave N Shift Values>> N :: 120.65(3.86) 1.M45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.51 C 0.38 A 0.1 C Shift Assignments>> CA :: 55.735 CB :: 32.075 CG :: 32.425 CE :: 16.736 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 :: 7.656 HA :: 4.124 HB2 :: 2.196 HB3 :: 2.196 HG2 :: 2.126 HG3 :: 2.126 HE1 :: 2.082 HE2 :: 2.082 HE3 :: 2.082 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 :: 113.800 Ave N Shift Values>> N :: 120.09(3.57) 1.K46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 R 0.32 K 0.13 L 0.13 G 0.01 C Shift Assignments>> CA :: 56.480 CB :: 28.502 CG :: 24.715 CD :: 27.965 CE :: 42.201 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 :: 6.510 HA :: 3.875 HB2 :: 1.933 HB3 :: 1.840 HG2 :: 1.130 HG3 :: 1.130 HD2 :: 1.647 HD3 :: 1.541 HE2 :: 3.000 HE3 :: 3.000 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 :: 109.552 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Y47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.24 C 0.22 F 0.17 E 0.14 I 0.07 N 0.04 M 0.03 D 0.02 L 0.01 C Shift Assignments>> CA :: 57.095 CB :: 37.688 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 :: 8.012 HA :: 4.662 HB2 :: 2.855 HB3 :: 2.756 HD1 :: 7.027 HD2 :: 7.027 HE1 :: 6.836 HE2 :: 6.836 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 118.822 Ave N Shift Values>> N :: 120.52(4.2) 1.K48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 K 0.3 R 0.25 C Shift Assignments>> CA :: 57.472 CB :: 32.274 CG :: 24.574 CD :: 27.116 CE :: 41.903 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 :: 8.571 HA :: 4.185 HB2 :: 1.828 HB3 :: 1.828 HG2 :: 1.524 HG3 :: 1.448 HD2 :: 1.698 HD3 :: 1.698 HE2 :: 3.000 HE3 :: 3.000 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 122.370 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.34 N 0.24 L 0.16 F 0.08 Y 0.06 C 0.06 K 0.02 C Shift Assignments>> CA :: 53.405 CB :: 40.486 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 :: 7.085 HA :: 4.672 HB2 :: 2.781 HB3 :: 2.561 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 118.738 Ave N Shift Values>> N :: 120.65(3.86) 1.A50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.83 M 0.11 C 0.02 L 0.01 C Shift Assignments>> CA :: 53.269 CB :: 19.559 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.315 HA :: 4.167 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 :: 123.004 Ave N Shift Values>> N :: 123.23(3.54) 1.T51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.92 C 0.07 C Shift Assignments>> CA :: 63.861 CB :: 68.783 CG2 :: 22.443 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 :: 8.250 HA :: 4.130 HB :: 4.206 HG21 :: 0.935 HG22 :: 0.935 HG23 :: 0.935 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 113.699 Ave N Shift Values>> N :: 115.42(4.75) 1.N52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.2 N 0.19 Y 0.18 F 0.13 E 0.12 D 0.05 M 0.04 I 0.02 L 0.01 C Shift Assignments>> CA :: 55.571 CB :: 37.683 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> HA :: 4.502 HB2 :: 2.768 HB3 :: 2.768 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) 1.K53 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.21 W 0.13 R 0.11 K 0.1 E 0.09 V 0.09 H 0.09 M 0.08 Q 0.04 I 0.01 C Shift Assignments>> CA :: 59.189 CB :: 31.590 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> HA :: 3.923 HB2 :: 1.973 HB3 :: 1.973 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) 1.S55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.T86 1.T86 C Shift Assignments>> CA :: 60.852 CB :: 62.630 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 :: 4.481 HB2 :: 3.905 HB3 :: 3.905 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 119.700 Ave N Shift Values>> N :: 116.28(3.52) 1.H56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.19 W 0.16 E 0.12 R 0.12 H 0.1 K 0.06 Q 0.06 V 0.05 M 0.05 I 0.02 C Shift Assignments>> CA :: 59.141 CB :: 30.813 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 7.830 HA :: 4.386 HB2 :: 3.263 HB3 :: 3.263 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 121.400 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.L57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.51 C 0.39 R 0.06 G 0.01 C Shift Assignments>> CA :: 57.733 CB :: 42.228 CG :: 26.269 CD1 :: 26.092 CD2 :: 22.607 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 :: 8.086 HA :: 4.062 HB2 :: 1.913 HB3 :: 1.913 HG :: 0.823 HD11 :: 0.725 HD12 :: 0.725 HD13 :: 0.725 HD21 :: 0.672 HD22 :: 0.672 HD23 :: 0.672 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 :: 120.613 Ave N Shift Values>> N :: 121.86(3.9) 1.H58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.17 K 0.15 H 0.12 C 0.11 W 0.11 R 0.1 E 0.1 L 0.06 M 0.02 I 0.01 C Shift Assignments>> CA :: 55.881 CB :: 28.459 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 7.411 HA :: 4.832 HB2 :: 3.195 HB3 :: 2.697 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 :: 111.313 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.R59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 R 0.37 K 0.1 G 0.05 L 0.01 C Shift Assignments>> CA :: 59.663 CB :: 29.355 CG :: 26.541 CD :: 43.158 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 :: 7.572 HA :: 3.955 HB2 :: 1.825 HB3 :: 1.825 HG2 :: 1.648 HG3 :: 1.648 HD2 :: 3.185 HD3 :: 3.185 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 :: 121.834 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.E60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.38 C 0.34 M 0.19 Q 0.04 K 0.02 C Shift Assignments>> CA :: 55.934 CB :: 31.051 CG :: 36.328 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 :: 8.679 HA :: 4.497 HB2 :: 2.132 HB3 :: 1.846 HG2 :: 2.179 HG3 :: 2.179 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 :: 114.570 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>> D 0.32 L 0.25 K 0.12 N 0.08 F 0.06 C 0.04 Y 0.04 R 0.03 C Shift Assignments>> CA :: 53.610 CB :: 41.656 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 :: 7.993 HA :: 4.748 HB2 :: 2.920 HB3 :: 2.461 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 :: 120.215 Ave N Shift Values>> N :: 120.65(3.86) 1.K62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.41 C 0.3 R 0.27 C Shift Assignments>> CA :: 55.387 CB :: 32.075 CG :: 25.308 CD :: 28.056 CE :: 42.133 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 9.087 HA :: 4.271 HB2 :: 2.189 HB3 :: 2.189 HG2 :: 1.585 HG3 :: 1.433 HD2 :: 1.639 HD3 :: 1.639 HE2 :: 2.974 HE3 :: 2.974 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 :: 125.300 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.H63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.15 H 0.14 C 0.13 W 0.13 E 0.13 Q 0.09 M 0.09 K 0.08 V 0.01 C Shift Assignments>> CA :: 57.095 CB :: 30.892 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 :: 8.790 HA :: 4.499 HB2 :: 3.287 HB3 :: 3.287 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 122.550 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.I64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.7 C 0.29 C Shift Assignments>> CA :: 61.706 CB :: 38.986 CG1 :: 27.424 CG2 :: 17.577 CD1 :: 13.149 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.995 HA :: 4.560 HB :: 1.955 HG12 :: 1.440 HG13 :: 0.904 HG21 :: 0.983 HG22 :: 0.983 HG23 :: 0.983 HD11 :: 0.464 HD12 :: 0.464 HD13 :: 0.464 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 130.354 Ave N Shift Values>> N :: 121.46(4.28) 1.T65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.84 C 0.15 C Shift Assignments>> CA :: 61.605 CB :: 71.746 CG2 :: 21.705 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 :: 10.003 HA :: 5.302 HB :: 4.856 HG21 :: 1.453 HG22 :: 1.453 HG23 :: 1.453 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 :: 127.292 Ave N Shift Values>> N :: 115.42(4.75) 1.I66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.66 C 0.33 C Shift Assignments>> CA :: 62.216 CB :: 36.931 CG1 :: 29.220 CG2 :: 18.392 CD1 :: 13.697 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 9.154 HA :: 3.787 HB :: 1.139 HG12 :: 1.064 HG13 :: 0.863 HG21 :: 0.771 HG22 :: 0.771 HG23 :: 0.771 HD11 :: 0.796 HD12 :: 0.796 HD13 :: 0.796 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 :: 121.457 Ave N Shift Values>> N :: 121.46(4.28) 1.E67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.43 C 0.36 E 0.17 K 0.02 C Shift Assignments>> CA :: 60.512 CB :: 28.495 CG :: 36.958 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 :: 8.286 HA :: 4.046 HB2 :: 1.944 HB3 :: 2.030 HG2 :: 2.261 HG3 :: 2.424 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 :: 122.547 Ave N Shift Values>> N :: 120.67(3.48) 1.D68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.19 L 0.18 Y 0.16 K 0.15 D 0.15 C 0.08 I 0.02 N 0.02 R 0.01 C Shift Assignments>> CA :: 56.754 CB :: 41.071 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 :: 7.800 HA :: 4.321 HB2 :: 3.213 HB3 :: 2.808 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 :: 120.047 Ave N Shift Values>> N :: 120.65(3.86) 1.L69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.47 C 0.46 G 0.04 A 0.01 C Shift Assignments>> CA :: 57.642 CB :: 42.749 CG :: 26.340 CD1 :: 22.354 CD2 :: 22.989 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 :: 8.688 HA :: 3.953 HB2 :: 2.029 HB3 :: 1.504 HG :: 1.675 HD11 :: 0.846 HD12 :: 0.846 HD13 :: 0.846 HD21 :: 0.812 HD22 :: 0.812 HD23 :: 0.812 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 :: 123.308 Ave N Shift Values>> N :: 121.86(3.9) 1.W70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.2 W 0.17 E 0.12 R 0.1 H 0.09 Q 0.07 I 0.06 K 0.06 V 0.04 M 0.02 HN Overlap>> 1.R104 1.R104 C Shift Assignments>> CA :: 59.653 CB :: 30.059 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 9.002 HA :: 4.545 HB2 :: 3.153 HB3 :: 3.336 HD1 :: 7.479 HE1 :: 10.681 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 :: 120.304 NE1 :: 126.661 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.K71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 K 0.44 R 0.07 C Shift Assignments>> CA :: 59.690 CB :: 31.866 CG :: 25.252 CD :: 29.107 CE :: 41.813 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 :: 8.031 HA :: 3.723 HB2 :: 1.916 HB3 :: 1.855 HG2 :: 1.429 HG3 :: 1.429 HD2 :: 1.691 HD3 :: 1.691 HE2 :: 2.927 HE3 :: 2.927 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 :: 117.036 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.R72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 R 0.42 K 0.08 G 0.04 L 0.01 C Shift Assignments>> CA :: 58.848 CB :: 29.422 CG :: 26.974 CD :: 43.053 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 :: 7.897 HA :: 3.737 HB2 :: 1.896 HB3 :: 1.896 HG2 :: 1.668 HG3 :: 1.668 HD2 :: 3.281 HD3 :: 3.281 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 :: 119.441 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.W73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.16 W 0.16 E 0.14 R 0.11 H 0.1 Q 0.09 K 0.09 I 0.05 M 0.03 V 0.02 C Shift Assignments>> CA :: 58.872 CB :: 29.795 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 :: 8.187 HA :: 4.731 HB2 :: 3.172 HB3 :: 3.172 HD1 :: 7.694 HE1 :: 10.052 HE3 :: 8.204 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 :: 120.297 NE1 :: 128.103 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.K74 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.73 L 0.13 R 0.08 A 0.04 K 0.01 C Shift Assignments>> CA :: 55.918 CB :: 29.643 CG :: 22.913 CD :: 26.097 CE :: 40.812 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 :: 8.110 HA :: 2.412(S) HB2 :: 1.200 HB3 :: 0.997 HG2 :: 0.362(S) HG3 :: 0.304(S) HD2 :: 0.895 HD3 :: 0.895 HE2 :: 2.587 HE3 :: 2.587 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 115.456 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) SRO Rule Breaks>> (HA > HE2 : 0.9935) (HA > HE3 : 0.9935) 1.T75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.86 C 0.13 C Shift Assignments>> CA :: 60.512 CB :: 69.348 CG2 :: 21.213 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 6.969 HA :: 4.119 HB :: 4.310 HG21 :: 1.043 HG22 :: 1.043 HG23 :: 1.043 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 :: 106.297 Ave N Shift Values>> N :: 115.42(4.75) 1.S76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.V78 1.V78 C Shift Assignments>> CA :: 58.189 CB :: 64.681 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.226 HA :: 4.267 HB2 :: 4.147 HB3 :: 4.086 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 120.027 Ave N Shift Values>> N :: 116.28(3.52) 1.E77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 E 0.37 I 0.14 K 0.06 Q 0.02 M 0.02 C Shift Assignments>> CA :: 58.872 CB :: 29.540 CG :: 36.504 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 :: 8.814 HA :: 4.054 HB2 :: 2.043 HB3 :: 2.043 HG2 :: 2.397 HG3 :: 2.293 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 :: 122.136 Ave N Shift Values>> N :: 120.67(3.48) 1.V78 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> V 0.78 C 0.21 HN Overlap>> 1.S76 1.S76 C Shift Assignments>> CA :: 64.131 CB :: 30.776 CG1 :: 21.758 CG2 :: 20.371 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 :: 7.296 HA :: 1.582(S) HB :: 1.383 HG11 :: 0.384 HG12 :: 0.384 HG13 :: 0.384 HG21 :: -0.289(S) HG22 :: -0.289(S) HG23 :: -0.289(S) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 120.053 Ave N Shift Values>> N :: 121.14(4.54) 1.H79 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.19 R 0.19 I 0.16 W 0.09 Q 0.08 L 0.08 H 0.05 E 0.05 K 0.05 C Shift Assignments>> CA :: 58.916 CB :: 27.177 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 6.489 HA :: 2.912(S) HB2 :: 2.024 HB3 :: 1.022(S) Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 117.313 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.N80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.63 D 0.15 C 0.08 F 0.04 Y 0.04 L 0.03 C Shift Assignments>> CA :: 51.902 CB :: 38.766 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 6.844 HA :: 4.639 HB2 :: 3.115 HB3 :: 2.750 HD21 :: 7.786 HD22 :: 6.828 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 :: 111.532 ND2 :: 115.228 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.W81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.15 R 0.14 E 0.13 W 0.13 Q 0.13 C 0.12 K 0.07 M 0.07 C Shift Assignments>> CA :: 56.207 CB :: 30.213 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 :: 8.105 HA :: 5.118 HB2 :: 3.260 HB3 :: 3.260 HD1 :: 6.934 HE1 :: 10.105 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 :: 123.075 NE1 :: 125.536 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.T82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.68 C 0.31 C Shift Assignments>> CA :: 60.649 CB :: 72.405 CG2 :: 21.951 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 9.744 HA :: 4.521 HB :: 4.913 HG21 :: 1.503 HG22 :: 1.503 HG23 :: 1.503 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 :: 117.306 Ave N Shift Values>> N :: 115.42(4.75) 1.L83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 L 0.36 R 0.11 C Shift Assignments>> CA :: 59.002 CB :: 41.883 CG :: 27.433 CD1 :: 26.339 CD2 :: 25.108 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.502 HA :: 4.575 HB2 :: 1.870 HB3 :: 1.870 HG :: 1.697 HD11 :: 1.037 HD12 :: 1.037 HD13 :: 1.037 HD21 :: 1.129 HD22 :: 1.129 HD23 :: 1.129 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 :: 125.536 Ave N Shift Values>> N :: 121.86(3.9) 1.E84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.58 C 0.32 E 0.07 C Shift Assignments>> CA :: 61.332 CB :: 28.116 CG :: 37.301 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 :: 8.840 HA :: 3.890 HB2 :: 1.982 HB3 :: 2.057 HG2 :: 2.541 HG3 :: 2.265 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.598 Ave N Shift Values>> N :: 120.67(3.48) 1.D85 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> F 0.28 Y 0.26 C 0.12 D 0.1 L 0.1 I 0.06 N 0.02 K 0.02 C Shift Assignments>> CA :: 57.369 CB :: 40.089 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 :: 8.063 HA :: 4.068 HB2 :: 1.693(S) HB3 :: 1.693(S) 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 :: 121.433 Ave N Shift Values>> N :: 120.65(3.86) 1.T86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.94 C 0.05 HN Overlap>> 1.S55 1.S55 C Shift Assignments>> CA :: 67.409 CB :: 67.762 CG2 :: 22.585 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 :: 8.351 HA :: 4.128 HB :: 4.702 HG21 :: 1.455 HG22 :: 1.455 HG23 :: 1.455 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 :: 119.792 Ave N Shift Values>> N :: 115.42(4.75) 1.L87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.56 C 0.41 A 0.01 HN Overlap>> 1.L90 1.L90 C Shift Assignments>> CA :: 57.472 CB :: 41.510 CG :: 26.313 CD1 :: 24.414 CD2 :: 22.060 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 :: 8.811 HA :: 4.146 HB2 :: 2.080 HB3 :: 1.387 HG :: 2.096 HD11 :: 1.016 HD12 :: 1.016 HD13 :: 1.016 HD21 :: 0.925 HD22 :: 0.925 HD23 :: 0.925 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 :: 123.497 Ave N Shift Values>> N :: 121.86(3.9) 1.Q88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 Q 0.18 K 0.15 R 0.15 I 0.02 P 0.02 E 0.01 M 0.01 C Shift Assignments>> CA :: 59.459 CB :: 27.446 CG :: 33.307 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 :: 7.785 HA :: 4.011 HB2 :: 2.051 HB3 :: 2.051 HG2 :: 2.364 HG3 :: 2.294 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 :: 118.812 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.W89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.35 C 0.21 W 0.11 P 0.07 K 0.05 E 0.04 R 0.04 Q 0.03 H 0.03 V 0.01 C Shift Assignments>> CA :: 61.059 CB :: 28.331 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 :: 7.465 HA :: 4.480 HB2 :: 3.095 HB3 :: 3.095 HD1 :: 7.308 HE1 :: 10.180 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 121.018 NE1 :: 129.580 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.L90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.58 C 0.4 HN Overlap>> 1.L87 1.L87 C Shift Assignments>> CA :: 57.690 CB :: 41.808 CG :: 26.135 CD1 :: 23.181 CD2 :: 24.269 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 :: 8.782 HA :: 3.203 HB2 :: 2.052 HB3 :: 1.264 HG :: 0.935 HD11 :: 0.384 HD12 :: 0.384 HD13 :: 0.384 HD21 :: -0.119 HD22 :: -0.119 HD23 :: -0.119 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 :: 123.425 Ave N Shift Values>> N :: 121.86(3.9) 1.I91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.88 C 0.11 C Shift Assignments>> CA :: 66.078 CB :: 39.324 CG1 :: 29.843 CG2 :: 17.177 CD1 :: 13.323 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.563 HA :: 3.142 HB :: 1.733 HG12 :: 1.681 HG13 :: 1.681 HG21 :: 0.829 HG22 :: 0.829 HG23 :: 0.829 HD11 :: 0.811 HD12 :: 0.811 HD13 :: 0.811 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 117.683 Ave N Shift Values>> N :: 121.46(4.28) 1.E92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.39 C 0.38 M 0.09 I 0.04 Q 0.04 K 0.04 C Shift Assignments>> CA :: 58.052 CB :: 30.508 CG :: 36.254 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 :: 8.695 HA :: 4.154 HB2 :: 1.984 HB3 :: 1.874 HG2 :: 2.264 HG3 :: 1.964 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 :: 115.808 Ave N Shift Values>> N :: 120.67(3.48) 1.F93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.29 Y 0.28 I 0.21 C 0.15 L 0.02 D 0.01 K 0.01 C Shift Assignments>> CA :: 59.555 CB :: 39.947 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 :: 7.977 HA :: 4.682 HB2 :: 3.185 HB3 :: 3.185 HD1 :: 7.341 HD2 :: 7.341 HE1 :: 7.341 HE2 :: 7.341 HZ :: 7.341 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 117.573 Ave N Shift Values>> N :: 120.45(4.18) 1.V94 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> V 0.7 C 0.29 HN Overlap>> 1.L141 1.L141 C Shift Assignments>> CA :: 64.197 CB :: 29.748 CG1 :: 22.333 CG2 :: 20.695 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 :: 8.084 HA :: 3.168 HB :: 2.163 HG11 :: 0.658 HG12 :: 0.658 HG13 :: 0.658 HG21 :: -0.503(S) HG22 :: -0.503(S) HG23 :: -0.503(S) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 119.554 Ave N Shift Values>> N :: 121.14(4.54) 1.E95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.25 R 0.23 C 0.13 Q 0.1 H 0.06 W 0.06 K 0.05 E 0.03 I 0.02 C Shift Assignments>> CA :: 56.095 CB :: 26.792 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 :: 6.588 HA :: 3.863 HB2 :: 2.141 HB3 :: 1.922 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 :: 109.831 Ave N Shift Values>> N :: 120.67(3.48) 1.L96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.64 C 0.33 A 0.01 C Shift Assignments>> CA :: 56.140 CB :: 41.212 CG :: 25.555 CD1 :: 25.654 CD2 :: 23.399 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 :: 7.192 HA :: 3.838 HB2 :: 1.141 HB3 :: 1.141 HG :: 0.769 HD11 :: 0.481 HD12 :: 0.481 HD13 :: 0.481 HD21 :: 0.339 HD22 :: 0.339 HD23 :: 0.339 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 117.050 Ave N Shift Values>> N :: 121.86(3.9) 1.P97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.81 C 0.17 C Shift Assignments>> CA :: 64.134 CB :: 31.845 CG :: 26.849 CD :: 50.622 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 :: 3.840 HB2 :: 2.029 HB3 :: 2.135 HG2 :: 1.849 HG3 :: 1.963 HD2 :: 3.128 HD3 :: 3.629 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.Q98 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 9.794 HA :: 4.159 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 :: 120.281 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Y99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.24 C 0.23 Y 0.17 F 0.11 M 0.06 N 0.06 I 0.04 K 0.01 D 0.01 C Shift Assignments>> CA :: 56.632 CB :: 37.104 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 :: 7.117 HA :: 5.443 HB2 :: 3.396 HB3 :: 2.371 HD1 :: 7.085 HD2 :: 7.085 HE1 :: 6.776 HE2 :: 6.776 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 119.285 Ave N Shift Values>> N :: 120.52(4.2) 1.E100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 E 0.23 I 0.19 K 0.1 Q 0.07 C Shift Assignments>> CA :: 59.909 CB :: 28.507 CG :: 35.566 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 :: 7.610 HA :: 3.585 HB2 :: 1.985 HB3 :: 2.058 HG2 :: 2.386 HG3 :: 2.152 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 :: 122.722 Ave N Shift Values>> N :: 120.67(3.48) 1.K101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 K 0.45 R 0.06 C Shift Assignments>> CA :: 59.829 CB :: 32.149 CG :: 24.899 CD :: 29.279 CE :: 41.979 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 9.099 HA :: 3.941 HB2 :: 1.932 HB3 :: 1.823 HG2 :: 1.441 HG3 :: 1.441 HD2 :: 1.688 HD3 :: 1.688 HE2 :: 3.044 HE3 :: 3.044 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 :: 119.593 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.N102 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.15 R 0.15 E 0.13 W 0.13 C 0.12 Q 0.11 M 0.08 K 0.07 C Shift Assignments>> CA :: 56.344 CB :: 30.568(S) Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.626 HA :: 4.607 HB2 :: 3.083 HB3 :: 3.033 HD21 :: 8.339 HD22 :: 7.462 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 114.108 ND2 :: 114.918 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.F103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.35 Y 0.22 C 0.2 F 0.18 E 0.02 C Shift Assignments>> CA :: 60.444 CB :: 38.250 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 :: 8.649 HA :: 4.222 HB2 :: 3.151 HB3 :: 3.151 HD1 :: 7.373 HD2 :: 7.373 HE1 :: 7.373 HE2 :: 7.373 HZ :: 7.373 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 :: 120.800 Ave N Shift Values>> N :: 120.45(4.18) 1.R104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 R 0.36 K 0.06 G 0.03 HN Overlap>> 1.W70 1.W70 C Shift Assignments>> CA :: 60.787 CB :: 29.958 CG :: 26.891 CD :: 42.714 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 :: 8.937 HA :: 4.196 HB2 :: 1.974 HB3 :: 1.974 HG2 :: 1.722 HG3 :: 1.722 HD2 :: 3.288 HD3 :: 3.288 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 :: 120.314 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.D105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.24 Y 0.22 D 0.15 L 0.12 C 0.11 N 0.05 I 0.04 K 0.02 C Shift Assignments>> CA :: 56.685 CB :: 40.091 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 :: 9.472 HA :: 4.368 HB2 :: 2.719 HB3 :: 2.618 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 :: 119.664 Ave N Shift Values>> N :: 120.65(3.86) 1.N106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.36 N 0.19 L 0.18 F 0.07 Y 0.05 C 0.05 K 0.05 C Shift Assignments>> CA :: 53.405 CB :: 40.817 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 6.993 HA :: 4.792 HB2 :: 2.649 HB3 :: 2.298 HD21 :: 8.209 HD22 :: 6.832 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 113.581 ND2 :: 116.625 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.N107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.42 C 0.17 Y 0.1 E 0.08 F 0.07 D 0.05 M 0.04 L 0.01 C Shift Assignments>> CA :: 54.020 CB :: 37.497 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 :: 8.000 HA :: 4.263 HB2 :: 3.100 HB3 :: 2.544 HD21 :: 6.770 HD22 :: 7.570 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 :: 119.089 ND2 :: 111.365 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.V108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.65 C 0.34 C Shift Assignments>> CA :: 64.261 CB :: 30.500 CG1 :: 23.618 CG2 :: 21.459 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 :: 7.855 HA :: 3.624 HB :: 1.600 HG11 :: 0.671 HG12 :: 0.671 HG13 :: 0.671 HG21 :: 0.418 HG22 :: 0.418 HG23 :: 0.418 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 118.297 Ave N Shift Values>> N :: 121.14(4.54) 1.K109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 K 0.4 A 0.08 R 0.02 G 0.01 HN Overlap>> 1.D38 1.D38 C Shift Assignments>> CA :: 54.089 CB :: 33.926 CG :: 23.074 CD :: 29.832 CE :: 41.889 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 :: 8.079 HA :: 4.967 HB2 :: 1.969 HB3 :: 1.713 HG2 :: 1.570 HG3 :: 1.448 HD2 :: 1.732 HD3 :: 1.732 HE2 :: 3.102 HE3 :: 3.038 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 122.488 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.68 A 0.14 N 0.06 G 0.03 C 0.02 D 0.01 C Shift Assignments>> CA :: 48.939 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.129 HA2 :: 3.585 HA3 :: 4.310 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.155 Ave N Shift Values>> N :: 109.67(3.87) 1.T111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.9 T 0.08 C Shift Assignments>> CA :: 63.177 CB :: 68.642 CG2 :: 25.026 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 :: 7.419 HA :: 3.878 HB :: 4.069 HG21 :: 1.332 HG22 :: 1.332 HG23 :: 1.332 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 :: 105.553 Ave N Shift Values>> N :: 115.42(4.75) 1.T112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.93 C 0.06 C Shift Assignments>> CA :: 63.246 CB :: 68.783 CG2 :: 21.557 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 :: 8.038 HA :: 4.012 HB :: 4.108 HG21 :: 1.267 HG22 :: 1.267 HG23 :: 1.267 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 :: 116.739 Ave N Shift Values>> N :: 115.42(4.75) 1.L113 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.86 V 0.1 A 0.02 C Shift Assignments>> CA :: 58.623 CB :: 35.702(S) CD1 :: 22.402 CD2 :: 18.684 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 :: 7.603 HA :: 4.549 HB2 :: 2.209 HB3 :: 2.209 HD11 :: 1.043 HD12 :: 1.043 HD13 :: 1.043 HD21 :: 0.899 HD22 :: 0.899 HD23 :: 0.899 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 118.535 Ave N Shift Values>> N :: 121.86(3.9) 1.P114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.68 P 0.19 C 0.09 I 0.02 C Shift Assignments>> CA :: 66.740 CB :: 31.780 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 :: 3.644 HB2 :: 1.464 HB3 :: 1.464 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.R115 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 7.409 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 :: 109.686 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.I116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.53 I 0.46 C Shift Assignments>> CA :: 60.175 CB :: 36.016 CG1 :: 26.174 CG2 :: 16.979 CD1 :: 12.298 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> HA :: 4.051 HB :: 1.466 HG12 :: 1.137 HG13 :: 0.481 HG21 :: 0.506 HG22 :: 0.506 HG23 :: 0.506 HD11 :: 0.213 HD12 :: 0.213 HD13 :: 0.213 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) 1.A117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.9 M 0.06 C 0.01 C Shift Assignments>> CA :: 52.039 CB :: 19.485 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.305 HA :: 4.471 HB1 :: 1.286 HB2 :: 1.286 HB3 :: 1.286 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.480 Ave N Shift Values>> N :: 123.23(3.54) 1.V118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.81 C 0.18 C Shift Assignments>> CA :: 64.405 CB :: 31.184 CG1 :: 22.429 CG2 :: 21.295 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 :: 6.909 HA :: 4.196 HB :: 2.060 HG11 :: 0.935 HG12 :: 0.935 HG13 :: 0.935 HG21 :: 0.776 HG22 :: 0.776 HG23 :: 0.776 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 :: 109.011 Ave N Shift Values>> N :: 121.14(4.54) 1.H119 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> M 0.21 K 0.18 Q 0.16 C 0.16 R 0.08 H 0.08 W 0.05 E 0.03 V 0.01 C Shift Assignments>> CA :: 55.797 CB :: 33.087 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 :: 8.320 HA :: 4.358 HB2 :: 1.805(S) HB3 :: 1.805 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 :: 115.531 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.E120 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 8.211 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 :: 121.784 Ave N Shift Values>> N :: 120.67(3.48) 1.P121 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 61.537 CB :: 63.719 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.134 HA :: 4.421 HB2 :: 4.011 HB3 :: 3.933 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 113.306 Ave N Shift Values>> N :: 116.28(3.52) 1.F123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.31 K 0.22 D 0.13 R 0.09 F 0.09 Y 0.05 C 0.03 I 0.02 N 0.01 C Shift Assignments>> CB :: 42.223 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 :: 7.380 HA :: 4.058 HB2 :: 3.728 HB3 :: 3.728 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 :: 119.048 Ave N Shift Values>> N :: 120.45(4.18) 1.M124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.54 M 0.38 C 0.04 V 0.02 C Shift Assignments>> CA :: 58.940 CE :: 17.568 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 :: 8.892 HA :: 3.815 HE1 :: 2.330 HE2 :: 2.330 HE3 :: 2.330 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 :: 120.144 Ave N Shift Values>> N :: 120.09(3.57) 1.I125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.96 I 0.03 C Shift Assignments>> CA :: 64.366 CB :: 37.934 CG1 :: 29.415 CG2 :: 13.292 CD1 :: 16.976 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 :: 7.122 HA :: 3.607 HB :: 1.735 HG12 :: 1.611 HG13 :: 1.611 HG21 :: 0.833 HG22 :: 0.833 HG23 :: 0.833 HD11 :: 0.763 HD12 :: 0.763 HD13 :: 0.763 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 116.434 Ave N Shift Values>> N :: 121.46(4.28) 1.S126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> CA :: 63.177 CB :: 63.519 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> HA :: 3.938 HB2 :: 3.931 HB3 :: 3.931 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) 1.Q127 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 8.185 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 :: 122.722 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> A 0.35 L 0.25 G 0.2 C 0.16 R 0.01 C Shift Assignments>> CA :: 51.444 CB :: 43.084 CG :: 24.994 CD1 :: 26.379 CD2 :: 22.198 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>> HA :: 4.900 HB2 :: 1.288 HB3 :: 1.288 HG :: 1.270 HD11 :: 0.681 HD12 :: 0.681 HD13 :: 0.681 HD21 :: 0.318 HD22 :: 0.318 HD23 :: 0.318 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) 1.K129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> K 0.46 C 0.42 R 0.11 C Shift Assignments>> CA :: 56.890 CB :: 32.740 CG :: 24.757 CD :: 28.770 CE :: 41.778 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>> HA :: 4.224 HB2 :: 1.842 HB3 :: 1.795 HG2 :: 1.505 HG3 :: 1.446 HD2 :: 1.690 HD3 :: 1.690 HE2 :: 3.001 HE3 :: 3.001 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) 1.I130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> I 0.57 C 0.42 C Shift Assignments>> CA :: 60.980 CB :: 36.630 CG1 :: 25.858 CG2 :: 16.867 CD1 :: 13.217 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> HA :: 3.896 HB :: 1.388 HG12 :: 1.204 HG13 :: 1.204 HG21 :: 0.584 HG22 :: 0.584 HG23 :: 0.584 HD11 :: 0.272 HD12 :: 0.272 HD13 :: 0.272 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) 1.S131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> CA :: 59.624 CB :: 63.377 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> HA :: 4.081 HB2 :: 3.925 HB3 :: 3.799 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) 1.D132 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 8.015 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 124.011 Ave N Shift Values>> N :: 120.65(3.86) 1.R133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.48 R 0.41 G 0.06 K 0.03 C Shift Assignments>> CA :: 60.012 CB :: 30.359 CG :: 26.791 CD :: 43.211 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>> HA :: 3.718 HB2 :: 1.934 HB3 :: 1.858 HG2 :: 1.685 HG3 :: 1.685 HD2 :: 3.200 HD3 :: 3.200 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) 1.S134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 62.079 CB :: 62.530 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.372 HA :: 3.981 HB2 :: 4.163 HB3 :: 4.163 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 :: 117.320 Ave N Shift Values>> N :: 116.28(3.52) 1.H135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.15 H 0.14 C 0.13 W 0.13 E 0.13 Q 0.09 M 0.09 K 0.08 V 0.01 C Shift Assignments>> CA :: 57.088 CB :: 30.919 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 :: 8.452 HA :: 4.508 HB2 :: 3.003 HB3 :: 3.003 HD2 :: 6.846 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 :: 125.114 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.R136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.24 T 0.19 V 0.18 C 0.08 P 0.05 F 0.04 S 0.04 Y 0.04 W 0.03 E 0.01 R 0.01 K 0.01 C Shift Assignments>> CA :: 61.427 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 :: 8.290 HA :: 3.871 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 :: 118.034 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.Q137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 Q 0.22 K 0.21 E 0.12 I 0.05 R 0.03 C Shift Assignments>> CA :: 59.009 CB :: 28.463 CG :: 34.463 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 :: 8.282 HA :: 4.218 HB2 :: 2.234 HB3 :: 2.242 HG2 :: 2.633 HG3 :: 2.451 HE21 :: 7.554 HE22 :: 6.869 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 :: 117.566 NE2 :: 111.664 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.K138 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 K 0.42 R 0.08 C Shift Assignments>> CA :: 59.912 CB :: 32.730 CG :: 25.555 CD :: 29.460 CE :: 41.818 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 :: 7.892 HA :: 4.163 HB2 :: 1.950 HB3 :: 2.046 HG2 :: 1.600 HG3 :: 1.520 HD2 :: 1.719 HD3 :: 1.719 HE2 :: 2.996 HE3 :: 2.996 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 :: 120.800 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.72 L 0.27 C Shift Assignments>> CA :: 59.676 CB :: 39.763 CG :: 26.652 CD1 :: 25.982 CD2 :: 22.452 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 :: 8.332 HA :: 3.788 HB2 :: 1.811 HB3 :: 1.811 HG :: 1.782 HD11 :: 0.366 HD12 :: 0.366 HD13 :: 0.366 HD21 :: 0.349 HD22 :: 0.349 HD23 :: 0.349 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 118.800 Ave N Shift Values>> N :: 121.86(3.9) 1.Q140 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.42 R 0.21 K 0.16 Q 0.13 P 0.02 M 0.01 I 0.01 C Shift Assignments>> CA :: 59.350 CB :: 27.449 CG :: 32.666 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> HA :: 4.258 HB2 :: 2.084 HB3 :: 2.084 HG2 :: 2.373 HG3 :: 2.373 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) 1.L141 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.39 C 0.32 K 0.25 R 0.01 HN Overlap>> 1.V94 1.V94 C Shift Assignments>> CA :: 58.053 CB :: 42.168 CG :: 27.221 CD1 :: 24.526 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 :: 8.000 HA :: 4.148 HB2 :: 1.964 HB3 :: 1.869 HG :: 1.898 HD11 :: 0.991 HD12 :: 0.991 HD13 :: 0.991 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 :: 119.500 Ave N Shift Values>> N :: 121.86(3.9) 1.K142 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 K 0.34 R 0.27 C Shift Assignments>> CA :: 57.674 CB :: 31.746 CG :: 25.448 CD :: 27.876 CE :: 42.112 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 :: 8.563 HA :: 4.540 HB2 :: 2.203 HB3 :: 2.203 HG2 :: 1.897 HG3 :: 1.897 HD2 :: 1.580 HD3 :: 1.580 HE2 :: 2.888 HE3 :: 2.888 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 :: 117.283 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A143 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.47 M 0.45 C 0.03 I 0.02 C Shift Assignments>> CA :: 54.977 CB :: 18.452 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.400 HA :: 4.387 HB1 :: 1.522 HB2 :: 1.522 HB3 :: 1.522 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.831 Ave N Shift Values>> N :: 123.23(3.54) 1.L144 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.47 C 0.46 R 0.05 HN Overlap>> 1.H21 1.H21 C Shift Assignments>> CA :: 58.715 CB :: 41.742 CG :: 27.363 CD1 :: 25.724 CD2 :: 24.643 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 :: 8.793 HA :: 3.776 HB2 :: 2.077 HB3 :: 2.077 HG :: 1.889 HD11 :: 1.147 HD12 :: 1.147 HD13 :: 1.147 HD21 :: 1.001 HD22 :: 1.001 HD23 :: 1.001 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 :: 120.047 Ave N Shift Values>> N :: 121.86(3.9) 1.D145 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.22 L 0.2 K 0.19 F 0.12 Y 0.08 D 0.06 C 0.06 I 0.01 G 0.01 C Shift Assignments>> CA :: 57.351 CB :: 42.606 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 :: 7.766 HA :: 4.554 HB2 :: 3.281 HB3 :: 3.068 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 :: 115.808 Ave N Shift Values>> N :: 120.65(3.86) 1.V146 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.79 C 0.2 C Shift Assignments>> CA :: 64.339 CB :: 31.194 CG1 :: 22.634 CG2 :: 20.598 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.472 HA :: 4.203 HB :: 2.053 HG11 :: 1.034 HG12 :: 1.034 HG13 :: 1.034 HG21 :: 0.769 HG22 :: 0.769 HG23 :: 0.769 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 :: 110.785 Ave N Shift Values>> N :: 121.14(4.54) 1.V147 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.79 C 0.2 C Shift Assignments>> CA :: 65.843 CB :: 31.503 CG1 :: 23.768 CG2 :: 20.336 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 :: 8.323 HA :: 3.627 HB :: 1.762 HG11 :: 0.316 HG12 :: 0.316 HG13 :: 0.316 HG21 :: 0.175 HG22 :: 0.175 HG23 :: 0.175 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 121.598 Ave N Shift Values>> N :: 121.14(4.54) 1.L148 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.51 C 0.36 R 0.06 A 0.04 C Shift Assignments>> CA :: 56.480 CB :: 41.857 CG :: 26.748 CD1 :: 26.010 CD2 :: 21.827 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 :: 7.851 HA :: 3.920 HB2 :: 1.000 HB3 :: 0.075(S) HG :: 1.406 HD11 :: 0.614 HD12 :: 0.614 HD13 :: 0.614 HD21 :: 0.419 HD22 :: 0.419 HD23 :: 0.419 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 114.402 Ave N Shift Values>> N :: 121.86(3.9) 1.F149 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.26 F 0.25 C 0.15 D 0.1 N 0.06 L 0.06 I 0.05 E 0.01 C Shift Assignments>> CA :: 56.750 CB :: 39.198 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 :: 7.973 HA :: 4.888 HB2 :: 3.388 HB3 :: 3.189 HD1 :: 7.275 HD2 :: 7.275 HE1 :: 7.275 HE2 :: 7.275 HZ :: 7.275 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 :: 113.425 Ave N Shift Values>> N :: 120.45(4.18) 1.G150 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.06 C 0.04 C Shift Assignments>> CA :: 46.413 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.578 HA2 :: 3.779 HA3 :: 3.779 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 114.753 Ave N Shift Values>> N :: 109.67(3.87) 2.CA1 Overall Status: Residue type CA not supported. ########################################################################### Overall Results: #Consistent: 139 #Clerical: 0 #Suspicious: 9 #Anomalous: 0 #Mistyped: 2 #Indeterminable: 0 Typing Results: #Consistent: 136 #Suspicious: 0 #Mistyped: 2 #Indeterminable: 12 Shift Relative Order (SRO) Results: #Consistent: 149 #Suspicious: 1 C Shift Results: #Consistent: 429 #Duplicate: 0 #Unknown: 0 #Suspicious: 2 #Anomalous: 0 H Shift Results: #Consistent: 940 #Duplicate: 0 #Unknown: 0 #Suspicious: 17 #Anomalous: 0 N Shift Results: #Consistent: 140 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 Error Summary: 1.D25 HB3 = 1.690(S), Expected = 2.66, Std = 0.2800, ChiSquare = 5.3164e-04 1.E33 N = 132.288(S), Expected = 120.67, Std = 3.4800, ChiSquare = 8.4230e-04 1.K74 HA = 2.412(S), Expected = 4.27, Std = 0.4400, ChiSquare = 2.4136e-05 1.K74 HG2 = 0.362(S), Expected = 1.37, Std = 0.2600, ChiSquare = 1.0579e-04 1.K74 HG3 = 0.304(S), Expected = 1.35, Std = 0.2800, ChiSquare = 1.8718e-04 1.K74 SRO Rule Break>> HA > HE2 : 0.99351606248158 1.K74 SRO Rule Break>> HA > HE3 : 0.993548387096774 1.V78 HA = 1.582(S), Expected = 4.19, Std = 0.5800, ChiSquare = 6.9064e-06 1.V78 HG21 = -0.289(S), Expected = 0.80, Std = 0.2800, ChiSquare = 1.0054e-04 1.V78 HG22 = -0.289(S), Expected = 0.80, Std = 0.2800, ChiSquare = 1.0054e-04 1.V78 HG23 = -0.289(S), Expected = 0.80, Std = 0.2800, ChiSquare = 1.0054e-04 1.H79 HA = 2.912(S), Expected = 4.61, Std = 0.4300, ChiSquare = 7.8532e-05 1.H79 HB3 = 1.022(S), Expected = 3.04, Std = 0.3800, ChiSquare = 1.0931e-07 1.D85 HB2 = 1.693(S), Expected = 2.72, Std = 0.2600, ChiSquare = 7.8151e-05 1.D85 HB3 = 1.693(S), Expected = 2.66, Std = 0.2800, ChiSquare = 5.5322e-04 1.V94 HG21 = -0.503(S), Expected = 0.80, Std = 0.2800, ChiSquare = 3.2623e-06 1.V94 HG22 = -0.503(S), Expected = 0.80, Std = 0.2800, ChiSquare = 3.2623e-06 1.V94 HG23 = -0.503(S), Expected = 0.80, Std = 0.2800, ChiSquare = 3.2623e-06 1.N102 Typing: Mistyped 1.N102 CB = 30.568(S), Expected = 38.69, Std = 1.6900, ChiSquare = 1.5404e-06 1.L113 Typing: Mistyped 1.L113 CB = 35.702(S), Expected = 42.31, Std = 1.8800, ChiSquare = 4.3993e-04 1.H119 HB2 = 1.805(S), Expected = 3.10, Std = 0.3600, ChiSquare = 3.2163e-04 1.L148 HB3 = 0.075(S), Expected = 1.52, Std = 0.3600, ChiSquare = 5.9726e-05