Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.D1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.34 A 0.27 N 0.17 D 0.06 L 0.03 C 0.02 M 0.02 H 0.01 R 0.01 C Shift Assignments>> C :: 173.227 CA :: 51.154 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 :: 8.442 HA :: 5.178 HB2 :: 2.66 HB3 :: 2.278 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 123.242 Ave N Shift Values>> N :: 120.65(3.86) 1.L2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.49 A 0.32 C 0.13 L 0.05 C Shift Assignments>> C :: 173.61 CA :: 50.999 CB :: 43.261 CG :: 23.856 CD1 :: 22.633 CD2 :: 22.633 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 :: 9.107 HA :: 4.781 HB2 :: 1.316 HB3 :: 1.316 HG :: 1.274 HD11 :: 0.583 HD12 :: 0.583 HD13 :: 0.583 HD21 :: 0.583 HD22 :: 0.583 HD23 :: 0.583 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 124.723 Ave N Shift Values>> N :: 121.86(3.9) 1.T3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.43 C 0.4 S 0.14 C Shift Assignments>> C :: 169.982 CA :: 60.227 CB :: 67.644 CG2 :: 19.167 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 :: 8.563 HA :: 4.598 HB :: 3.776 HG21 :: 0.914 HG22 :: 0.914 HG23 :: 0.914 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 121.335 Ave N Shift Values>> N :: 115.42(4.75) 1.I4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.74 A 0.13 I 0.12 HN Overlap>> 1.N6 1.N6 C Shift Assignments>> C :: 172.638 CA :: 56.141 CB :: 37.027 CG1 :: 25.589 CG2 :: 16.313 CD1 :: 11.013 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 :: 8.881 HA :: 5.004 HB :: 2.031 HG12 :: 1.266 HG13 :: 1.266 HG21 :: 0.676 HG22 :: 0.676 HG23 :: 0.676 HD11 :: 0.611 HD12 :: 0.611 HD13 :: 0.611 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 :: 125.043 Ave N Shift Values>> N :: 121.46(4.28) 1.S5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.53 P 0.39 C 0.07 C Shift Assignments>> C :: 170.957 CA :: 53.209 CB :: 61.763 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.701 HA :: 4.987 HB2 :: 3.477 HB3 :: 3.779 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 :: 120.377 Ave N Shift Values>> N :: 116.28(3.52) 1.N6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.62 C 0.24 M 0.03 D 0.01 Y 0.01 F 0.01 E 0.01 HN Overlap>> 1.I4 1.I4 C Shift Assignments>> C :: 173.357 CA :: 49.948 CB :: 36.767 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 :: 8.816 HA :: 4.933 HB2 :: 2.31 HB3 :: 3.369 HD21 :: 6.412 HD22 :: 7.696 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 125.05 ND2 :: 110.694 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.E7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 Q 0.22 E 0.21 K 0.18 R 0.03 I 0.02 C Shift Assignments>> C :: 175.476 CA :: 55.884 CB :: 28.025 CG :: 35.216 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 :: 8.798 HA :: 3.997 HB2 :: 1.992 HB3 :: 1.992 HG2 :: 2.11 HG3 :: 2.11 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 124.749 Ave N Shift Values>> N :: 120.67(3.48) 1.L8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.6 A 0.26 L 0.12 HN Overlap>> 1.I28 1.I28 C Shift Assignments>> C :: 177.076 CA :: 54.876 CB :: 38.324 CG :: 25.487 CD1 :: 22.164 CD2 :: 22.095 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 :: 8.427 HA :: 4.192 HB2 :: 2.039 HB3 :: 2.039 HG :: 1.569 HD11 :: 0.757 HD12 :: 0.757 HD13 :: 0.757 HD21 :: 0.757 HD22 :: 0.757 HD23 :: 0.757 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 :: 118.513 Ave N Shift Values>> N :: 121.86(3.9) 1.T9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 T 0.33 A 0.12 S 0.06 C Shift Assignments>> C :: 174.195 CA :: 58.581 CB :: 68.218 CG2 :: 19.167 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 :: 7.239 HA :: 4.29 HB :: 4.218 HG21 :: 1.007 HG22 :: 1.007 HG23 :: 1.007 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 :: 105.721 Ave N Shift Values>> N :: 115.42(4.75) 1.G10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.41 L 0.28 D 0.06 G 0.05 F 0.05 K 0.04 C 0.03 Y 0.03 C Shift Assignments>> C :: 171.627 CA :: 43.284 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.235 HA2 :: 3.6 HA3 :: 4.044 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.431 Ave N Shift Values>> N :: 109.67(3.87) 1.E11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.34 K 0.22 C 0.22 M 0.1 E 0.08 R 0.01 C Shift Assignments>> C :: 172.352 CA :: 54.097 CB :: 29.675 CG :: 34.191 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 :: 7.531 HA :: 4.084 HB2 :: 1.647 HB3 :: 1.647 HG2 :: 1.966 HG3 :: 2.04 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.318 Ave N Shift Values>> N :: 120.67(3.48) 1.I12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.95 I 0.03 A 0.01 C Shift Assignments>> C :: 172.686 CA :: 57.203 CB :: 37.459 CG1 :: 24.875 CG2 :: 15.09 CD1 :: 10.095 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 :: 8.116 HA :: 4.742 HB :: 1.511 HG12 :: 1.361 HG13 :: 1.361 HG21 :: 0.915 HG22 :: 0.915 HG23 :: 0.915 HD11 :: 0.61 HD12 :: 0.61 HD13 :: 0.61 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 :: 121.703 Ave N Shift Values>> N :: 121.46(4.28) 1.Y13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.33 D 0.26 F 0.1 Y 0.1 L 0.09 C 0.08 C Shift Assignments>> C :: 172.038 CA :: 54.023 CB :: 39.535 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 :: 9.281 HA :: 4.657 HB2 :: 2.715 HB3 :: 2.863 HD1 :: 6.876 HD2 :: 6.876 HE1 :: 6.577 HE2 :: 6.577 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 :: 127.025 Ave N Shift Values>> N :: 120.52(4.2) 1.G14 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.28 F 0.2 Y 0.14 L 0.12 I 0.08 N 0.05 K 0.05 C 0.04 C Shift Assignments>> C :: 169.372 CA :: 40.829(S) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.337 HA2 :: 3.108 HA3 :: 4.579 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.813 Ave N Shift Values>> N :: 109.67(3.87) 1.P15 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.93 G 0.05 C Shift Assignments>> C :: 174.2 CA :: 59.728 CB :: 31.924 CG :: 22.939(S) CD :: 47.912 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.579 HB2 :: 2.019 HB3 :: 2.019 HG2 :: 1.676 HG3 :: 1.676 HD2 :: 3.366 HD3 :: 3.366 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.I16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.93 I 0.04 A 0.02 C Shift Assignments>> C :: 172.081 CA :: 57.194 CB :: 37.892 CG1 :: 24.264 CG2 :: 15.192 CD1 :: 10.911 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 :: 9.339 HA :: 4.262 HB :: 1.614 HG12 :: 0.964 HG13 :: 1.322 HG21 :: 0.616 HG22 :: 0.616 HG23 :: 0.616 HD11 :: 0.548 HD12 :: 0.548 HD13 :: 0.548 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 :: 122.526 Ave N Shift Values>> N :: 121.46(4.28) 1.E17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.35 C 0.28 K 0.18 R 0.11 E 0.03 M 0.01 C Shift Assignments>> C :: 173.962 CA :: 53.597 CB :: 27.628 CG :: 34.049 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 :: 8.373 HA :: 4.743 HB2 :: 1.645 HB3 :: 1.645 HG2 :: 1.899 HG3 :: 1.899 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 125.668 Ave N Shift Values>> N :: 120.67(3.48) 1.V18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.79 A 0.19 C Shift Assignments>> C :: 172.45 CA :: 56.543 CB :: 32.357 CG1 :: 19.677 CG2 :: 16.619 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 :: 8.767 HA :: 4.535 HB :: 2.003 HG11 :: 0.599 HG12 :: 0.599 HG13 :: 0.599 HG21 :: 0.497 HG22 :: 0.497 HG23 :: 0.497 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 :: 119.344 Ave N Shift Values>> N :: 121.14(4.54) 1.S19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 C 0.01 C Shift Assignments>> C :: 173.487 CA :: 54.397 CB :: 62.022 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.825 HA :: 4.507 HB2 :: 3.59 HB3 :: 3.822 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.508 Ave N Shift Values>> N :: 116.28(3.52) 1.E20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 R 0.24 Q 0.2 K 0.19 M 0.01 C Shift Assignments>> C :: 172.648 CA :: 55.918 CB :: 26.648 CG :: 33.03 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 :: 8.74 HA :: 3.875 HB2 :: 1.796 HB3 :: 1.796 HG2 :: 2.021 HG3 :: 2.148 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 :: 122.824 Ave N Shift Values>> N :: 120.67(3.48) 1.D21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.68 D 0.12 C 0.09 F 0.03 Y 0.03 L 0.02 C Shift Assignments>> C :: 173.668 CA :: 51.146 CB :: 38.584 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 :: 7.78 HA :: 4.529 HB2 :: 2.377 HB3 :: 2.632 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 :: 114.171 Ave N Shift Values>> N :: 120.65(3.86) 1.M22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.33 C 0.33 M 0.14 Q 0.1 R 0.08 C Shift Assignments>> C :: 172.507 CA :: 54.455 CB :: 31.492 CG :: 29.714 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 :: 7.346 HA :: 3.928 HB2 :: 1.793 HB3 :: 2.109 HG2 :: 2.392 HG3 :: 2.774 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 :: 121.446 Ave N Shift Values>> N :: 120.09(3.57) 1.A23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.81 M 0.09 G 0.07 C Shift Assignments>> C :: 177.422 CA :: 49.073 CB :: 16.789 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.924 HA :: 4.435 HB1 :: 1.36 HB2 :: 1.36 HB3 :: 1.36 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 127.857 Ave N Shift Values>> N :: 123.23(3.54) 1.L24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.65 A 0.3 L 0.04 C Shift Assignments>> C :: 176.449 CA :: 55.833 CB :: 37.978 CG :: 24.977 CD1 :: 23.244 CD2 :: 20.9 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 :: 8.489 HA :: 3.78 HB2 :: 1.737 HB3 :: 1.737 HG :: 1.362 HD11 :: 1.107 HD12 :: 1.107 HD13 :: 1.107 HD21 :: 0.601 HD22 :: 0.601 HD23 :: 0.601 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 124.9 Ave N Shift Values>> N :: 121.86(3.9) 1.T25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.39 C 0.31 T 0.28 C Shift Assignments>> C :: 174.844 CA :: 63.092 CB :: 65.553 CG2 :: 20.085 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 :: 8.24 HA :: 3.999 HB :: 3.712 HG21 :: 1.16 HG22 :: 1.16 HG23 :: 1.16 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 108.42 Ave N Shift Values>> N :: 115.42(4.75) 1.D26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.35 C 0.16 Y 0.14 F 0.11 D 0.09 E 0.05 M 0.03 L 0.02 I 0.01 C Shift Assignments>> C :: 176.277 CA :: 54.605 CB :: 37.978 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 :: 6.846 HA :: 4.494 HB2 :: 2.591 HB3 :: 2.765 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 :: 121.309 Ave N Shift Values>> N :: 120.65(3.86) 1.L27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 A 0.44 L 0.02 C Shift Assignments>> C :: 175.671 CA :: 55.497 CB :: 38.128 CG :: 24.875 CD1 :: 23.448 CD2 :: 20.288 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 :: 7.662 HA :: 3.995 HB2 :: 1.905 HB3 :: 1.949 HG :: 1.199 HD11 :: 0.661 HD12 :: 0.661 HD13 :: 0.661 HD21 :: 0.522 HD22 :: 0.522 HD23 :: 0.522 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 :: 123.504 Ave N Shift Values>> N :: 121.86(3.9) 1.I28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.96 I 0.03 HN Overlap>> 1.L8 1.L8 C Shift Assignments>> C :: 174.892 CA :: 62.863 CB :: 34.173 CG1 :: 27.016 CG2 :: 14.784 CD1 :: 9.687 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 :: 8.456 HA :: 3.092 HB :: 1.797 HG12 :: 1.379 HG13 :: 1.379 HG21 :: 0.812 HG22 :: 0.812 HG23 :: 0.812 HD11 :: 0.524 HD12 :: 0.524 HD13 :: 0.524 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 118.569 Ave N Shift Values>> N :: 121.46(4.28) 1.A29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.59 A 0.37 C 0.01 C Shift Assignments>> C :: 178.482 CA :: 53.015 CB :: 15.318 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.448 HA :: 4.17 HB1 :: 1.423 HB2 :: 1.423 HB3 :: 1.423 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.577 Ave N Shift Values>> N :: 123.23(3.54) 1.L30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.69 L 0.19 A 0.11 C Shift Assignments>> C :: 176.253 CA :: 55.923 CB :: 39.449 CG :: 24.672 CD1 :: 22.429 CD2 :: 22.429 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 :: 7.37 HA :: 4.087 HB2 :: 1.857 HB3 :: 1.857 HG :: 1.614 HD11 :: 0.77 HD12 :: 0.77 HD13 :: 0.77 HD21 :: 0.77 HD22 :: 0.77 HD23 :: 0.77 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 121.25 Ave N Shift Values>> N :: 121.86(3.9) 1.L31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.45 C 0.43 L 0.11 C Shift Assignments>> C :: 178.783 CA :: 54.969 CB :: 38.151 CG :: 26.201 CD1 :: 23.958 CD2 :: 20.798 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 :: 8.298 HA :: 3.651 HB2 :: 1.616 HB3 :: 1.748 HG :: 0.882 HD11 :: 0.47 HD12 :: 0.47 HD13 :: 0.47 HD21 :: 0.244 HD22 :: 0.244 HD23 :: 0.244 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 :: 117.774 Ave N Shift Values>> N :: 121.86(3.9) 1.Q32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.35 C 0.33 K 0.14 Q 0.12 M 0.02 C Shift Assignments>> C :: 175.089 CA :: 56.277 CB :: 27.081 CG :: 32.113 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 :: 8.824 HA :: 4.556 HB2 :: 2.104 HB3 :: 2.248 HG2 :: 2.419 HG3 :: 2.616 HE21 :: 6.83 HE22 :: 7.396 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 :: 120.632 NE2 :: 110.796 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.A33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.56 M 0.42 C 0.01 C Shift Assignments>> C :: 177.682 CA :: 52.55 CB :: 16.356 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.426 HA :: 4.093 HB1 :: 1.385 HB2 :: 1.385 HB3 :: 1.385 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.396 Ave N Shift Values>> N :: 123.23(3.54) 1.D34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.34 N 0.26 L 0.15 F 0.08 Y 0.06 C 0.06 K 0.02 HN Overlap>> 1.M48 1.M48 C Shift Assignments>> C :: 175.93 CA :: 53.393 CB :: 40.4 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 :: 8.39 HA :: 4.714 HB2 :: 2.389 HB3 :: 2.452 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 :: 113.552 Ave N Shift Values>> N :: 120.65(3.86) 1.C35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.33 R 0.23 C 0.13 Q 0.11 H 0.07 K 0.04 E 0.03 I 0.01 C Shift Assignments>> C :: 172.148 CA :: 54.455 CB :: 26.994 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.565 HA :: 4.059 HB2 :: 2.288 HB3 :: 2.609 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 114.183 Ave N Shift Values>> N :: 120.17(4.64) 1.G36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.29 R 0.27 G 0.25 C 0.04 F 0.04 D 0.04 Y 0.02 C Shift Assignments>> C :: 172.211 CA :: 44.002 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.817 HA2 :: 3.699 HA3 :: 3.699 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.664 Ave N Shift Values>> N :: 109.67(3.87) 1.F37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.21 N 0.18 F 0.18 C 0.16 D 0.1 L 0.04 E 0.04 I 0.03 M 0.01 C Shift Assignments>> C :: 171.682 CA :: 55.712 CB :: 38.411 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 :: 7.271 HA :: 4.46 HB2 :: 2.255 HB3 :: 2.41 HD1 :: 6.885 HD2 :: 6.885 HE1 :: 6.993 HE2 :: 6.993 HZ :: 7.217 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 :: 119.727 Ave N Shift Values>> N :: 120.45(4.18) 1.D38 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> N 0.58 D 0.18 C 0.11 L 0.03 G 0.03 F 0.02 Y 0.01 C Shift Assignments>> C :: 173.724 CA :: 49.216 CB :: 39.629 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 10.554(S) HA :: 4.539 HB2 :: 1.993 HB3 :: 2.089 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 :: 132.964 Ave N Shift Values>> N :: 120.65(3.86) 1.K39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.87 A 0.1 L 0.01 C Shift Assignments>> C :: 174.524 CA :: 55.884 CB :: 30.021 CG :: 22.225 CD :: 27.322 CE :: 39.452 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 :: 8.764 HA :: 3.86 HB2 :: 1.828 HB3 :: 1.828 HG2 :: 1.283 HG3 :: 1.465 HD2 :: 1.594 HD3 :: 1.697 HE2 :: 2.83 HE3 :: 2.83 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 :: 124.102 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.T40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 T 0.33 S 0.3 C Shift Assignments>> C :: 173.072 CA :: 60.987 CB :: 66.962 CG2 :: 19.269 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 :: 8.403 HA :: 4.13 HB :: 4.017 HG21 :: 1.047 HG22 :: 1.047 HG23 :: 1.047 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 109.254 Ave N Shift Values>> N :: 115.42(4.75) 1.K41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.59 A 0.39 C Shift Assignments>> C :: 173.383 CA :: 53.817 CB :: 33.389 CG :: 21.919 CD :: 26.608 CE :: 39.452 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 :: 7.043 HA :: 4.233 HB2 :: 1.309 HB3 :: 1.309 HG2 :: 0.57 HG3 :: 0.842 HD2 :: 1.28 HD3 :: 1.28 HE2 :: 2.663 HE3 :: 2.663 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 118.219 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.H42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 M 0.24 Q 0.12 P 0.11 K 0.07 N 0.05 H 0.03 R 0.02 E 0.01 C Shift Assignments>> C :: 171.059 CA :: 51.503 CB :: 34.428 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 :: 8.004 HA :: 5.377 HB2 :: 2.195 HB3 :: 2.764 HD2 :: 6.399 HE1 :: 7.605 HE2 :: 11.408 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 :: 121.191 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.D43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.77 L 0.11 D 0.04 R 0.03 C 0.02 C Shift Assignments>> C :: 171.777 CA :: 51.116 CB :: 44.292 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 :: 9.023 HA :: 5.114 HB2 :: 2.376 HB3 :: 2.376 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 :: 118.132 Ave N Shift Values>> N :: 120.65(3.86) 1.L44 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.77 G 0.12 C 0.1 C Shift Assignments>> C :: 172.55 CA :: 50.728 CB :: 42.389 CG :: 23.143(S) CD1 :: 21.614 CD2 :: 21.614 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 :: 9.024 HA :: 5.158 HB2 :: 1.232 HB3 :: 1.494 HG :: 1.283 HD11 :: 0.41 HD12 :: 0.41 HD13 :: 0.41 HD21 :: 0.259 HD22 :: 0.259 HD23 :: 0.259 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 121.871 Ave N Shift Values>> N :: 121.86(3.9) 1.Y45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.27 N 0.25 F 0.12 L 0.11 Y 0.11 C 0.08 C Shift Assignments>> C :: 173.178 CA :: 54.45 CB :: 39.73 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 :: 9.62 HA :: 5.074 HB2 :: 2.552 HB3 :: 2.774 HD1 :: 6.674 HD2 :: 6.674 HE1 :: 6.63 HE2 :: 6.63 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 123.28 Ave N Shift Values>> N :: 120.52(4.2) 1.Y46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.47 C 0.12 D 0.12 Y 0.1 F 0.08 L 0.03 E 0.02 M 0.01 C Shift Assignments>> C :: 173.141 CA :: 53.83 CB :: 38.238 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 :: 8.71 HA :: 4.911 HB2 :: 2.701 HB3 :: 2.701 HD1 :: 7.085 HD2 :: 7.085 HE1 :: 6.758 HE2 :: 6.758 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 :: 119.601 Ave N Shift Values>> N :: 120.52(4.2) 1.N47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.28 C 0.25 Q 0.18 K 0.11 H 0.04 R 0.04 P 0.02 N 0.02 E 0.01 C Shift Assignments>> C :: 171.951 CA :: 52.395 CB :: 34 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 9.14 HA :: 3.865 HB2 :: 2.37 HB3 :: 2.647 HD21 :: 6.482 HD22 :: 7.001 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 :: 127.212 ND2 :: 112.977 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.M48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.42 C 0.33 K 0.18 M 0.04 HN Overlap>> 1.D34 1.D34 C Shift Assignments>> C :: 172.859 CA :: 53.597 CB :: 28.292 CG :: 30.176 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 :: 8.422 HA :: 4.222 HB2 :: 2.084 HB3 :: 2.188 HG2 :: 2.32 HG3 :: 2.501 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 :: 113.563 Ave N Shift Values>> N :: 120.09(3.57) 1.D49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.37 N 0.32 L 0.14 C 0.06 F 0.03 Y 0.02 K 0.02 C Shift Assignments>> C :: 171.857 CA :: 50.991 CB :: 40.919 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 :: 7.934 HA :: 4.866 HB2 :: 2.501 HB3 :: 2.593 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 :: 119.979 Ave N Shift Values>> N :: 120.65(3.86) 1.I50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.87 I 0.12 C Shift Assignments>> C :: 174.142 CA :: 59.141 CB :: 36.249 CG1 :: 26.914 CG2 :: 14.478 CD1 :: 11.522 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 :: 8.119 HA :: 3.341 HB :: 1.237 HG12 :: 0.956 HG13 :: 0.956 HG21 :: 0.549 HG22 :: 0.549 HG23 :: 0.549 HD11 :: 0.09 HD12 :: 0.09 HD13 :: 0.09 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 :: 122.114 Ave N Shift Values>> N :: 121.46(4.28) 1.L51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.76 C 0.17 L 0.06 C Shift Assignments>> C :: 172.838 CA :: 51.271 CB :: 39.708 CG :: 24.447 CD1 :: 23.267 CD2 :: 21.633 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 :: 8.753 HA :: 4.292 HB2 :: 1.442 HB3 :: 1.442 HG :: 1.05 HD11 :: 0.672 HD12 :: 0.672 HD13 :: 0.672 HD21 :: 0.548 HD22 :: 0.548 HD23 :: 0.548 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 :: 128.708 Ave N Shift Values>> N :: 121.86(3.9) 1.D52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.53 D 0.25 C 0.07 L 0.06 F 0.03 Y 0.02 C Shift Assignments>> C :: 174.438 CA :: 50.65 CB :: 39.888 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 :: 8.604 HA :: 4.566 HB2 :: 2.435 HB3 :: 2.669 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 123.38 Ave N Shift Values>> N :: 120.65(3.86) 1.S53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 171.835 CA :: 57.862 CB :: 60.725 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.562 HA :: 4.097 HB2 :: 3.632 HB3 :: 3.984 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 :: 120.108 Ave N Shift Values>> N :: 116.28(3.52) 1.N54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.52 C 0.23 M 0.08 E 0.05 Y 0.03 F 0.02 D 0.01 K 0.01 C Shift Assignments>> C :: 173.335 CA :: 51.62 CB :: 36.421 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 :: 8.557 HA :: 4.57 HB2 :: 2.665 HB3 :: 2.722 HD21 :: 6.845 HD22 :: 7.814 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 118.035 ND2 :: 114.781 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.R55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.5 C 0.35 L 0.11 R 0.02 C Shift Assignments>> C :: 173.619 CA :: 54.295 CB :: 29.502 CG :: 24.875 CD :: 41.083 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 :: 7.473 HA :: 4.249 HB2 :: 1.707 HB3 :: 1.861 HG2 :: 1.479 HG3 :: 1.583 HD2 :: 3.142 HD3 :: 3.142 HE :: 7.18 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 :: 118.952 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.T56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.39 C 0.38 T 0.2 A 0.02 C Shift Assignments>> C :: 171.238 CA :: 59.453 CB :: 67.038 CG2 :: 19.269 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 :: 7.98 HA :: 4.694 HB :: 3.862 HG21 :: 0.971 HG22 :: 0.971 HG23 :: 0.971 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 115.484 Ave N Shift Values>> N :: 115.42(4.75) 1.Q57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.27 R 0.25 C 0.24 Q 0.13 M 0.07 C Shift Assignments>> C :: 173.576 CA :: 54.335 CB :: 28.205 CG :: 32.011 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 :: 8.158 HA :: 4.327 HB2 :: 1.898 HB3 :: 2.051 HG2 :: 2.266 HG3 :: 2.266 HE21 :: 6.674 HE22 :: 7.305 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 :: 122.413 NE2 :: 111.592 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.S58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.561 CA :: 54.247 CB :: 63.579 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.397 HA :: 4.94 HB2 :: 3.734 HB3 :: 3.914 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.282 Ave N Shift Values>> N :: 116.28(3.52) 1.L59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 A 0.43 C Shift Assignments>> C :: 177.271 CA :: 55.574 CB :: 37.284 CG :: 24.366 CD1 :: 23.448 CD2 :: 19.983 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 :: 8.295 HA :: 3.73 HB2 :: 1.717 HB3 :: 1.717 HG :: 1.239 HD11 :: 0.683 HD12 :: 0.683 HD13 :: 0.683 HD21 :: 0.479 HD22 :: 0.479 HD23 :: 0.479 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 :: 119.021 Ave N Shift Values>> N :: 121.86(3.9) 1.K60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.92 A 0.06 C Shift Assignments>> C :: 176.558 CA :: 56.699 CB :: 30.281 CG :: 21.919 CD :: 27.22 CE :: 39.554 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 :: 8.39 HA :: 3.911 HB2 :: 1.468 HB3 :: 1.468 HG2 :: 1.22 HG3 :: 1.22 HD2 :: 1.573 HD3 :: 1.712 HE2 :: 2.77 HE3 :: 2.77 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 :: 120.43 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.32 Q 0.25 E 0.17 K 0.16 R 0.05 I 0.02 C Shift Assignments>> C :: 175.594 CA :: 55.768 CB :: 27.686 CG :: 35.069 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 :: 7.506 HA :: 3.883 HB2 :: 2.05 HB3 :: 2.05 HG2 :: 2.186 HG3 :: 2.227 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 :: 116.899 Ave N Shift Values>> N :: 120.67(3.48) 1.L62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.78 C 0.17 L 0.03 C Shift Assignments>> C :: 174.957 CA :: 53.275 CB :: 39.622 CG :: 24.56 CD1 :: 23.287 CD2 :: 20.533 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 :: 7.542 HA :: 4.037 HB2 :: 1.548 HB3 :: 1.548 HG :: 1.203 HD11 :: 0.596 HD12 :: 0.596 HD13 :: 0.596 HD21 :: 0.596 HD22 :: 0.596 HD23 :: 0.596 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 :: 116.728 Ave N Shift Values>> N :: 121.86(3.9) 1.G63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.3 R 0.29 G 0.22 D 0.04 F 0.04 C 0.04 Y 0.02 K 0.01 C Shift Assignments>> C :: 172.263 CA :: 43.926 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.331 HA2 :: 3.655 HA3 :: 3.823 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.49 Ave N Shift Values>> N :: 109.67(3.87) 1.L64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.75 C 0.17 L 0.06 C Shift Assignments>> C :: 175.966 CA :: 53.182 CB :: 39.795 CG :: 24.672 CD1 :: 23.448 CD2 :: 20.798 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 :: 7.763 HA :: 4.033 HB2 :: 1.243 HB3 :: 1.243 HG :: 0.467 HD11 :: 0.137 HD12 :: 0.137 HD13 :: 0.137 HD21 :: 0.137 HD22 :: 0.137 HD23 :: 0.137 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 :: 118.61 Ave N Shift Values>> N :: 121.86(3.9) 1.K65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.66 A 0.32 C Shift Assignments>> C :: 174.511 CA :: 52.86 CB :: 31.405 CG :: 22.735 CD :: 26.506 CE :: 39.859 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 :: 9.141 HA :: 4.32 HB2 :: 1.906 HB3 :: 1.906 HG2 :: 1.493 HG3 :: 1.493 HD2 :: 1.627 HD3 :: 1.627 HE2 :: 2.976 HE3 :: 2.976 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 :: 122.013 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.T66 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> T 0.86 S 0.13 C Shift Assignments>> C :: 171.6 CA :: 62.892 CB :: 66.569 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.122 HA :: 4.692 HB :: 4.003 HG21 :: 2.685(S) HG22 :: 2.685(S) HG23 :: 2.685(S) 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 :: 113.247 Ave N Shift Values>> N :: 115.42(4.75) 1.D67 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.2 R 0.18 C 0.15 Q 0.14 M 0.12 E 0.1 K 0.06 C Shift Assignments>> C :: 172.362 CA :: 54.062 CB :: 30.484(S) 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 :: 7.467 HA :: 4.238 HB2 :: 2.858 HB3 :: 2.858 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 :: 118.696 Ave N Shift Values>> N :: 120.65(3.86) 1.D68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.35 L 0.22 D 0.17 R 0.11 C 0.05 N 0.02 F 0.01 K 0.01 C Shift Assignments>> C :: 172.151 CA :: 50.883 CB :: 43.254 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 :: 8.152 HA :: 4.983 HB2 :: 2.442 HB3 :: 2.519 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 :: 122.57 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>> G 0.47 A 0.32 L 0.11 C 0.08 C Shift Assignments>> C :: 173.191 CA :: 51.813 CB :: 44.205 CG :: 24.972 CD1 :: 23.418 CD2 :: 21.717 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 :: 8.948 HA :: 5.298 HB2 :: 1.352 HB3 :: 1.556 HG :: 1.267 HD11 :: 0.71 HD12 :: 0.71 HD13 :: 0.71 HD21 :: 0.585 HD22 :: 0.585 HD23 :: 0.585 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.414 Ave N Shift Values>> N :: 121.86(3.9) 1.L70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.5 A 0.21 G 0.16 C 0.1 HN Overlap>> 1.R73 1.R73 C Shift Assignments>> C :: 172.492 CA :: 51.077 CB :: 43.05 CG :: 25.895 CD1 :: 24.162 CD2 :: 22.327 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 :: 8.612 HA :: 5.074 HB2 :: 1.427 HB3 :: 1.538 HG :: 1.32 HD11 :: 0.713 HD12 :: 0.713 HD13 :: 0.713 HD21 :: 0.591 HD22 :: 0.591 HD23 :: 0.591 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 :: 123.165 Ave N Shift Values>> N :: 121.86(3.9) 1.L71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.35 A 0.29 L 0.22 C 0.12 C Shift Assignments>> C :: 173.773 CA :: 50.883 CB :: 43.202 CG :: 25.181 CD1 :: 22.429 CD2 :: 22.429 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 :: 8.583 HA :: 5.354 HB2 :: 1.503 HB3 :: 1.503 HG :: 1.353 HD11 :: 0.691 HD12 :: 0.691 HD13 :: 0.691 HD21 :: 0.691 HD22 :: 0.691 HD23 :: 0.691 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 :: 120.371 Ave N Shift Values>> N :: 121.86(3.9) 1.I72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.85 I 0.13 C Shift Assignments>> C :: 172.505 CA :: 58.908 CB :: 37.719 CG1 :: 24.977 CG2 :: 14.58 CD1 :: 12.338 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 :: 8.878 HA :: 4.741 HB :: 1.467 HG12 :: 0.758 HG13 :: 0.758 HG21 :: 0.651 HG22 :: 0.651 HG23 :: 0.651 HD11 :: 0.513 HD12 :: 0.513 HD13 :: 0.513 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 :: 121.847 Ave N Shift Values>> N :: 121.46(4.28) 1.R73 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.79 K 0.18 HN Overlap>> 1.L70 1.L70 C Shift Assignments>> C :: 173.314 CA :: 51.697 CB :: 32.357 CG :: 25.487 CD :: 40.165(S) Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.668 HA :: 4.611 HB2 :: 1.485 HB3 :: 1.823 HG2 :: 1.218 HG3 :: 1.373 HD2 :: 2.067(S) HD3 :: 2.231(S) HE :: 7.333 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 123.187 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.G74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.38 L 0.29 D 0.07 K 0.06 F 0.06 G 0.03 Y 0.03 C 0.03 I 0.01 C Shift Assignments>> C :: 172.219 CA :: 43.06 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.814 HA2 :: 3.786 HA3 :: 4.308 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.772 Ave N Shift Values>> N :: 109.67(3.87) 1.K75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.84 A 0.12 R 0.01 K 0.01 C Shift Assignments>> C :: 174.639 CA :: 54.76 CB :: 30.973 CG :: 22.837 CD :: 26.404 CE :: 40.063 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 :: 7.829 HA :: 4.118 HB2 :: 1.542 HB3 :: 1.542 HG2 :: 0.948 HG3 :: 0.948 HD2 :: 1.274 HD3 :: 1.274 HE2 :: 2.589 HE3 :: 2.769 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 :: 122.7 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.96 I 0.03 C Shift Assignments>> C :: 174.066 CA :: 58.676 CB :: 36.162 CG1 :: 24.672 CG2 :: 15.09 CD1 :: 10.401 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 :: 8.308 HA :: 4.068 HB :: 1.759 HG12 :: 1.162 HG13 :: 1.408 HG21 :: 1.004 HG22 :: 1.004 HG23 :: 1.004 HD11 :: 0.803 HD12 :: 0.803 HD13 :: 0.803 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 :: 122.609 Ave N Shift Values>> N :: 121.46(4.28) 1.S77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 171.879 CA :: 55.419 CB :: 61.322 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.311 HA :: 4.321 HB2 :: 3.696 HB3 :: 3.696 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 :: 119.421 Ave N Shift Values>> N :: 116.28(3.52) 1.N78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.56 C 0.25 M 0.07 E 0.02 Y 0.02 F 0.01 D 0.01 C Shift Assignments>> C :: 172.903 CA :: 50.767 CB :: 36.421 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 :: 8.368 HA :: 4.654 HB2 :: 2.679 HB3 :: 2.679 HD21 :: 6.807 HD22 :: 7.519 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 121.025 ND2 :: 112.071 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.S79 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 171.906 CA :: 56.139 CB :: 61.33 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.172 HA :: 3.703 HB2 :: 1.403(A) HB3 :: 1.403(A) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.947 Ave N Shift Values>> N :: 116.28(3.52) ########################################################################### Overall Results: #Consistent: 71 #Clerical: 0 #Suspicious: 4 #Anomalous: 1 #Mistyped: 3 #Indeterminable: 0 Typing Results: #Consistent: 76 #Suspicious: 0 #Mistyped: 3 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 79 #Suspicious: 0 C Shift Results: #Consistent: 326 #Duplicate: 0 #Unknown: 0 #Suspicious: 5 #Anomalous: 0 H Shift Results: #Consistent: 563 #Duplicate: 0 #Unknown: 0 #Suspicious: 6 #Anomalous: 2 N Shift Results: #Consistent: 84 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.G14 Typing: Mistyped 1.G14 CA = 40.829(S), Expected = 45.35, Std = 1.3400, ChiSquare = 7.4117e-04 1.P15 Typing: Mistyped 1.P15 CG = 22.939(S), Expected = 27.17, Std = 1.0900, ChiSquare = 1.0375e-04 1.D38 H = 10.554(S), Expected = 8.31, Std = 0.5800, ChiSquare = 1.0930e-04 1.L44 CG = 23.143(S), Expected = 26.78, Std = 1.1000, ChiSquare = 9.4515e-04 1.T66 HG21 = 2.685(S), Expected = 1.14, Std = 0.2300, ChiSquare = 1.8501e-11 1.T66 HG22 = 2.685(S), Expected = 1.14, Std = 0.2300, ChiSquare = 1.8501e-11 1.T66 HG23 = 2.685(S), Expected = 1.14, Std = 0.2300, ChiSquare = 1.8501e-11 1.D67 Typing: Mistyped 1.D67 CB = 30.484(S), Expected = 40.88, Std = 1.6200, ChiSquare = 1.3873e-10 1.R73 CD = 40.165(S), Expected = 43.16, Std = 0.8800, ChiSquare = 6.6551e-04 1.R73 HD2 = 2.067(S), Expected = 3.12, Std = 0.2400, ChiSquare = 1.1466e-05 1.R73 HD3 = 2.231(S), Expected = 3.10, Std = 0.2600, ChiSquare = 8.3085e-04 1.S79 HB2 = 1.403(A), Expected = 3.88, Std = 0.2500, ChiSquare = 3.8426e-23 1.S79 HB3 = 1.403(A), Expected = 3.85, Std = 0.2700, ChiSquare = 1.2695e-19