Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.M3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.L4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> L 0.68 C 0.27 A 0.02 R 0.01 C Shift Assignments>> C :: 176.809 CA :: 55.095 CB :: 41.893 CG :: 26.742 CD1 :: 24.651 CD2 :: 23.515 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 :: 4.269 HB2 :: 1.477 HB3 :: 1.477 HD11 :: 0.748 HD12 :: 0.748 HD13 :: 0.748 HD21 :: 0.716 HD22 :: 0.716 HD23 :: 0.716 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.A5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.88 M 0.08 C 0.01 C Shift Assignments>> C :: 177.429 CA :: 52.304 CB :: 19.277 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.199 HA :: 4.261 HB1 :: 1.326 HB2 :: 1.326 HB3 :: 1.326 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.919 Ave N Shift Values>> N :: 123.23(3.54) 1.K6 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.44 C 0.39 R 0.14 C Shift Assignments>> C :: 176.243 CA :: 56.674 CB :: 32.491 CG :: 24.375 CD :: 29.07 CE :: 42.173 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 :: 8.222 HA :: 4.219 HB2 :: 2.675(S) HB3 :: 2.675(S) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.163 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.29 L 0.22 F 0.11 K 0.11 N 0.08 Y 0.08 C 0.06 R 0.01 HN Overlap>> 2.N57 2.M49 2.N57 2.M49 C Shift Assignments>> C :: 175.55 CA :: 54.774 CB :: 41.063 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 :: 8.29 HA :: 4.561 HB2 :: 2.656 HB3 :: 2.656 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 :: 119.875 Ave N Shift Values>> N :: 120.65(3.86) 1.N8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.44 D 0.24 C 0.07 F 0.07 L 0.07 Y 0.07 C Shift Assignments>> C :: 173.998 CA :: 53.219 CB :: 39.352 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 :: 8.267 HA :: 4.643 HB2 :: 2.775 HB3 :: 2.775 HD21 :: 7.49 HD22 :: 6.896 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 117.697 ND2 :: 112.639 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.E9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 M 0.27 E 0.25 Q 0.01 C Shift Assignments>> C :: 174.633 CA :: 55.46 CB :: 32.46 CG :: 36.596 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 :: 7.9 HA :: 4.876 HB2 :: 1.846 HB3 :: 1.846 HG2 :: 2.101 HG3 :: 2.54 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 :: 118.955 Ave N Shift Values>> N :: 120.67(3.48) 1.A10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.44 A 0.3 C 0.19 K 0.03 P 0.01 C Shift Assignments>> C :: 175.642 CA :: 50.294 CB :: 23.173 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.987 HA :: 4.764 HB1 :: 0.926 HB2 :: 0.926 HB3 :: 0.926 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.981 Ave N Shift Values>> N :: 123.23(3.54) 1.K11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.21 M 0.21 Q 0.16 E 0.15 K 0.13 Y 0.02 H 0.02 R 0.01 N 0.01 W 0.01 F 0.01 C Shift Assignments>> C :: 175.044 CA :: 55.808 CB :: 34.947 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 :: 8.586 HA :: 4.879 HB2 :: 1.904 HB3 :: 1.722 HG2 :: 1.606 HG3 :: 1.606 HE2 :: 2.982 HE3 :: 2.982 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 :: 120.68 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.94 I 0.03 G 0.01 HN Overlap>> 2.I51 2.I51 C Shift Assignments>> C :: 173.989 CA :: 58.827 CB :: 42.172 CG1 :: 31.009 CG2 :: 15.188 CD1 :: 15.238 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 :: 8.485 HA :: 5.091 HB :: 1.296 HG12 :: 1.413 HG13 :: 1.413 HG21 :: 0.726 HG22 :: 0.726 HG23 :: 0.726 HD11 :: 0.719 HD12 :: 0.719 HD13 :: 0.719 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 :: 121.355 Ave N Shift Values>> N :: 121.46(4.28) 1.F13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.3 F 0.27 C 0.17 I 0.12 D 0.04 L 0.03 N 0.01 E 0.01 C Shift Assignments>> C :: 174.786 CA :: 58.024 CB :: 38.961 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 :: 8.188 HA :: 4.553 HB2 :: 3.19 HB3 :: 3.19 HD1 :: 7.063 HD2 :: 7.063 HE1 :: 6.915 HE2 :: 6.915 HZ :: 7.106 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 124.585 Ave N Shift Values>> N :: 120.45(4.18) 1.T14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.74 C 0.24 C Shift Assignments>> CA :: 59.901 CB :: 71.333 CG2 :: 20.108 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 :: 7.065 HA :: 4.768 HB :: 4.745 HG21 :: 1.305 HG22 :: 1.305 HG23 :: 1.305 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 :: 115.599 Ave N Shift Values>> N :: 115.42(4.75) 1.G15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.67 L 0.17 R 0.05 C 0.03 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> C :: 174.36 CA :: 44.815 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.184 HA2 :: 3.572 HA3 :: 4.303 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) 1.V16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.62 C 0.37 C Shift Assignments>> C :: 172.804 CA :: 62.409 CB :: 31.714 CG1 :: 19.879 CG2 :: 21.388 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 :: 7.554 HA :: 3.829 HB :: 1.905 HG11 :: 0.19 HG12 :: 0.19 HG13 :: 0.19 HG21 :: 0.804 HG22 :: 0.804 HG23 :: 0.804 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 :: 121.721 Ave N Shift Values>> N :: 121.14(4.54) 1.E17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.19 R 0.14 C 0.14 H 0.13 K 0.13 W 0.09 E 0.07 Q 0.06 C Shift Assignments>> C :: 176.343 CA :: 55.217 CB :: 31.821 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 :: 8.08 HA :: 4.564 HB2 :: 1.902 HB3 :: 2.079 HG2 :: 2.183 HG3 :: 2.317 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 123.752 Ave N Shift Values>> N :: 120.67(3.48) 1.G18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.59 L 0.21 R 0.08 C 0.04 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> C :: 173.933 CA :: 44.65 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.856 HA2 :: 3.799 HA3 :: 4.425 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.032 Ave N Shift Values>> N :: 109.67(3.87) 1.E19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.43 C 0.38 M 0.08 I 0.03 K 0.03 Q 0.02 C Shift Assignments>> C :: 177.057 CA :: 56.524 CB :: 30.285 CG :: 36.863 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 :: 8.703 HA :: 5.198 HB2 :: 1.981 HB3 :: 1.981 HG2 :: 2.115 HG3 :: 2.25 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 :: 122.591 Ave N Shift Values>> N :: 120.67(3.48) 1.F20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.21 D 0.2 K 0.16 F 0.15 Y 0.12 C 0.06 N 0.03 R 0.02 I 0.01 C Shift Assignments>> C :: 172.327 CA :: 56.006 CB :: 41.234 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 9.245 HA :: 4.933 HB2 :: 3.162 HB3 :: 2.833 HD1 :: 7.246 HD2 :: 7.246 HE1 :: 6.945 HE2 :: 6.945 HZ :: 6.972 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 121.016 Ave N Shift Values>> N :: 120.45(4.18) 1.E21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.16 Q 0.15 R 0.13 W 0.12 K 0.11 C 0.11 E 0.11 M 0.05 HN Overlap>> 1.S102 1.S102 C Shift Assignments>> C :: 175.684 CA :: 55.082 CB :: 29.615 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 :: 8.699 HA :: 4.39 HB2 :: 1.963 HB3 :: 1.762 HG2 :: 2.373 HG3 :: 2.373 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 :: 119.643 Ave N Shift Values>> N :: 120.67(3.48) 1.G22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.56 L 0.22 R 0.1 C 0.04 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> C :: 172.002 CA :: 44.585 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.433 HA2 :: 5.032 HA3 :: 2.848 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.409 Ave N Shift Values>> N :: 109.67(3.87) 1.I23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 I 0.49 C Shift Assignments>> C :: 174.566 CA :: 59.218 CB :: 41.66 CG1 :: 27.59 CG2 :: 17.389 CD1 :: 13.449 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 :: 9.038 HA :: 5.278 HB :: 1.765 HG12 :: 1.492 HG13 :: 1.13 HG21 :: 0.844 HG22 :: 0.844 HG23 :: 0.844 HD11 :: 0.83 HD12 :: 0.83 HD13 :: 0.83 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 :: 118.036 Ave N Shift Values>> N :: 121.46(4.28) 1.I24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.78 I 0.19 A 0.01 C Shift Assignments>> C :: 173.043 CA :: 57.678 CB :: 41.589 CG1 :: 29.014 CG2 :: 15.943 CD1 :: 15.076 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 :: 9.241 HA :: 5.687 HB :: 1.678 HG12 :: 1.473 HG13 :: 0.949 HG21 :: 1.243 HG22 :: 1.243 HG23 :: 1.243 HD11 :: 0.555 HD12 :: 0.555 HD13 :: 0.555 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 :: 125.502 Ave N Shift Values>> N :: 121.46(4.28) 1.I25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.53 C 0.46 C Shift Assignments>> C :: 175.998 CA :: 60.04 CB :: 41.354 CG1 :: 27.723 CG2 :: 17.403 CD1 :: 14.689 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 :: 9.236 HA :: 5.182 HB :: 1.936 HG12 :: 1.445 HG13 :: 1.445 HG21 :: 0.975 HG22 :: 0.975 HG23 :: 0.975 HD11 :: 0.965 HD12 :: 0.965 HD13 :: 0.965 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 :: 125.318 Ave N Shift Values>> N :: 121.46(4.28) 1.G26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.85 L 0.08 C 0.02 R 0.01 C Shift Assignments>> C :: 173.067 CA :: 45.37 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 10.006 HA2 :: 5.012 HA3 :: 3.713 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 117.331 Ave N Shift Values>> N :: 109.67(3.87) 1.T27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.74 C 0.25 C Shift Assignments>> C :: 175.14 CA :: 59.994 CB :: 71.862 CG2 :: 20.602 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 :: 8.784 HA :: 5.105 HB :: 4.584 HG21 :: 1.288 HG22 :: 1.288 HG23 :: 1.288 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 :: 116.749 Ave N Shift Values>> N :: 115.42(4.75) 1.E28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.36 I 0.14 K 0.07 Q 0.03 M 0.01 C Shift Assignments>> C :: 176.738 CA :: 58.657 CB :: 29.303 CG :: 36.482 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 :: 8.789 HA :: 4.077 HB2 :: 2.032 HB3 :: 2.032 HG2 :: 2.308 HG3 :: 2.308 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 :: 118.96 Ave N Shift Values>> N :: 120.67(3.48) 1.D29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.3 R 0.24 D 0.14 K 0.11 F 0.06 C 0.04 Y 0.04 G 0.02 N 0.01 HN Overlap>> 2.K13 2.K13 C Shift Assignments>> C :: 175.4 CA :: 55.113 CB :: 42.894 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 :: 8.088 HA :: 4.741 HB2 :: 2.662 HB3 :: 2.462 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 :: 115.825 Ave N Shift Values>> N :: 120.65(3.86) 1.D30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 L 0.25 K 0.13 N 0.08 F 0.06 C 0.04 R 0.04 Y 0.04 HN Overlap>> 1.D70 1.D70 C Shift Assignments>> C :: 173.145 CA :: 53.572 CB :: 41.752 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 :: 7.954 HA :: 4.645 HB2 :: 3.014 HB3 :: 2.747 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 :: 118.07 Ave N Shift Values>> N :: 120.65(3.86) 1.I31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.7 C 0.29 HN Overlap>> 2.V70 2.V70 C Shift Assignments>> C :: 175.066 CA :: 60.959 CB :: 39.688 CG2 :: 18.909 CD1 :: 13.532 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 :: 8.348 HA :: 4.94 HB :: 1.703 HG21 :: 0.777 HG22 :: 0.777 HG23 :: 0.777 HD11 :: 0.758 HD12 :: 0.758 HD13 :: 0.758 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 120.068 Ave N Shift Values>> N :: 121.46(4.28) 1.R32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.23 C 0.2 Q 0.19 K 0.13 E 0.1 H 0.02 R 0.02 Y 0.01 N 0.01 W 0.01 C Shift Assignments>> C :: 174.413 CA :: 55.076 CB :: 34.717 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 :: 9.088 HA :: 5.498 HB2 :: 1.922 HB3 :: 1.764 HG2 :: 1.667 HG3 :: 1.667 HD2 :: 3.058 HD3 :: 3.058 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 125.408 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.I33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.57 C 0.42 C Shift Assignments>> C :: 173.483 CA :: 59.345 CB :: 40.091 CG1 :: 27.571 CG2 :: 18.062 CD1 :: 13.264 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 :: 8.807 HA :: 5.207 HB :: 1.636 HG12 :: 1.315 HG13 :: 1.127 HG21 :: 1.213 HG22 :: 1.213 HG23 :: 1.213 HD11 :: 0.58 HD12 :: 0.58 HD13 :: 0.58 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 120.141 Ave N Shift Values>> N :: 121.46(4.28) 1.Y34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.65 C 0.3 G 0.03 C Shift Assignments>> C :: 175.987 CA :: 55.908 CB :: 42.352 CE1 :: 118.084 CE2 :: 118.084 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 :: 9.168 HA :: 4.933 HB2 :: 3.195 HB3 :: 3.195 HD1 :: 7.143 HD2 :: 7.143 HE1 :: 6.138 HE2 :: 6.138 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 :: 124.284 Ave N Shift Values>> N :: 120.52(4.2) 1.K35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.48 C 0.42 R 0.08 C Shift Assignments>> C :: 178.015 CA :: 56.654 CB :: 33.053 CG :: 24.403 CD :: 28.941 CE :: 41.726 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 9.338 HB2 :: 1.79 HB3 :: 1.79 HG2 :: 1.379 HG3 :: 1.379 HD2 :: 1.644 HD3 :: 1.644 HE2 :: 2.961 HE3 :: 2.961 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 :: 124.094 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.R36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.32 V 0.28 K 0.09 Q 0.07 M 0.05 W 0.04 R 0.02 H 0.02 P 0.02 I 0.02 E 0.01 C Shift Assignments>> C :: 174.658 CA :: 60.532 CB :: 33.736 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 :: 8.96 HA :: 3.719 HB2 :: 1.991 HB3 :: 1.785 HG2 :: 1.708 HG3 :: 1.59 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 125.332 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.D37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.5 D 0.21 C 0.07 F 0.06 Y 0.06 L 0.06 C Shift Assignments>> C :: 175.756 CA :: 52.865 CB :: 39.182 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 :: 8.16 HA :: 4.719 HB2 :: 3.121 HB3 :: 2.573 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 112.956 Ave N Shift Values>> N :: 120.65(3.86) 1.E38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.16 R 0.16 C 0.12 W 0.12 Q 0.11 M 0.11 E 0.11 K 0.07 C Shift Assignments>> C :: 177.378 CA :: 55.163 CB :: 30.745 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.234 HA :: 4.881 HB2 :: 1.999 HB3 :: 2.082 HG2 :: 2.377 HG3 :: 2.257 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 123.018 Ave N Shift Values>> N :: 120.67(3.48) 1.L39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.74 C 0.22 A 0.02 C Shift Assignments>> C :: 177.738 CA :: 54.569 CB :: 41.016 CD1 :: 25.555 CD2 :: 23.651 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 :: 8.514 HA :: 4.345 HB2 :: 1.733 HB3 :: 1.829 HD11 :: 0.897 HD12 :: 0.897 HD13 :: 0.897 HD21 :: 0.616 HD22 :: 0.616 HD23 :: 0.616 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 :: 123.282 Ave N Shift Values>> N :: 121.86(3.9) 1.I40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.83 C 0.16 C Shift Assignments>> C :: 177.022 CA :: 64.058 CB :: 38.029 CG1 :: 28.801 CG2 :: 17.548 CD1 :: 13.154 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 :: 7.741 HA :: 3.885 HB :: 1.991 HG12 :: 1.272 HG13 :: 1.542 HG21 :: 0.979 HG22 :: 0.979 HG23 :: 0.979 HD11 :: 0.953 HD12 :: 0.953 HD13 :: 0.953 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 :: 121.278 Ave N Shift Values>> N :: 121.46(4.28) 1.E41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.16 K 0.15 H 0.14 W 0.12 E 0.11 C 0.11 R 0.1 M 0.03 L 0.02 I 0.01 C Shift Assignments>> C :: 176.399 CA :: 55.908 CB :: 29.014 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 :: 8.936 HA :: 4.318 HB2 :: 1.82 HB3 :: 2.212 HG2 :: 2.381 HG3 :: 2.381 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 :: 117.776 Ave N Shift Values>> N :: 120.67(3.48) 1.S42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.186 CA :: 56.728 CB :: 63.506 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.326 HA :: 3.809 HB2 :: 3.239 HB3 :: 3.239 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 :: 115.334 Ave N Shift Values>> N :: 116.28(3.52) 1.K43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.55 K 0.33 V 0.09 C Shift Assignments>> C :: 175.507 CA :: 57.629 CB :: 31.849 CG :: 23.481 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 :: 8.185 HA :: 3.832 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.Y44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.71 C 0.28 C Shift Assignments>> C :: 173.914 CA :: 55.384 CB :: 40.899 CE1 :: 117.959 CE2 :: 117.959 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 :: 7.361 HA :: 4.899 HB2 :: 2.813 HB3 :: 2.813 HD1 :: 6.681 HD2 :: 6.681 HE1 :: 6.542 HE2 :: 6.542 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 :: 115.577 Ave N Shift Values>> N :: 120.52(4.2) 1.K45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.24 C 0.24 Q 0.13 E 0.11 K 0.1 N 0.07 Y 0.02 H 0.02 R 0.01 F 0.01 C Shift Assignments>> C :: 175.565 CA :: 53.844 CB :: 35.145 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 :: 8.593 HA :: 4.643 HB2 :: 1.889 HB3 :: 1.889 HG2 :: 1.356 HG3 :: 1.356 HD2 :: 1.667 HD3 :: 1.667 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 :: 119.119 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.15 Q 0.14 W 0.13 E 0.13 C 0.12 H 0.12 R 0.09 I 0.03 M 0.02 L 0.01 C Shift Assignments>> C :: 176.2 CA :: 57.394 CB :: 28.935 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 :: 8.25 HA :: 4.663 HG2 :: 2.393 HG3 :: 2.233 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.775 Ave N Shift Values>> N :: 120.67(3.48) 1.M47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 M 0.36 A 0.25 HN Overlap>> 1.N58 2.D26 1.N58 2.D26 C Shift Assignments>> C :: 174.192 CA :: 54.233 CB :: 36.173 CG :: 30.88 CE :: 16.386 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 :: 8.475 HA :: 4.879 HB2 :: 1.798 HB3 :: 1.648 HG2 :: 2.079 HG3 :: 2.244 HE1 :: 1.742 HE2 :: 1.742 HE3 :: 1.742 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 124.143 Ave N Shift Values>> N :: 120.09(3.57) 1.C48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.14 W 0.14 C 0.13 E 0.13 Q 0.13 H 0.11 R 0.09 I 0.04 M 0.02 C Shift Assignments>> C :: 172.946 CA :: 57.866 CB :: 29.125 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.24 HA :: 4.45 HB2 :: 2.473 HB3 :: 2.678 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 119.479 Ave N Shift Values>> N :: 120.17(4.64) 1.I49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.62 C 0.37 C Shift Assignments>> C :: 174.178 CA :: 59.975 CB :: 38.881 CG1 :: 27 CG2 :: 17.22 CD1 :: 13.999 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 :: 8.167 HA :: 4.935 HB :: 1.763 HG12 :: 1.416 HG13 :: 0.432 HG21 :: 0.767 HG22 :: 0.767 HG23 :: 0.767 HD11 :: 0.784 HD12 :: 0.784 HD13 :: 0.784 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 :: 124.897 Ave N Shift Values>> N :: 121.46(4.28) 1.Y50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.68 C 0.31 C Shift Assignments>> C :: 174.208 CA :: 57.399 CB :: 39.808 CE1 :: 117.71 CE2 :: 117.71 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 :: 9.368 HA :: 4.698 HB2 :: 2.995 HB3 :: 2.909 HD1 :: 6.899 HD2 :: 6.899 HE1 :: 6.653 HE2 :: 6.653 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 :: 128.044 Ave N Shift Values>> N :: 120.52(4.2) 1.E51 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> H 0.17 R 0.15 Q 0.13 W 0.12 C 0.12 E 0.11 M 0.09 K 0.06 C Shift Assignments>> C :: 174.041 CA :: 55.035 CB :: 30.281 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 :: 8.862 HA :: 4.852 HB2 :: -0.104(A) HB3 :: 0.837(S) HG2 :: 1.515(S) HG3 :: 1.738 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 :: 121.599 Ave N Shift Values>> N :: 120.67(3.48) 1.R52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.14 L 0.12 M 0.09 H 0.08 Q 0.07 N 0.07 R 0.07 K 0.05 A 0.05 C 0.05 W 0.04 E 0.04 F 0.03 Y 0.03 S 0.01 C Shift Assignments>> C :: 173.575 CA :: 54.975 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 :: 9.003 HA :: 5.566 HB2 :: 1.533 HB3 :: 1.533 HG2 :: 1.425 HG3 :: 1.425 HD2 :: 3.086 HD3 :: 3.086 HE :: 7.602 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 :: 123.834 NE :: 85.484 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.Q53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.17 R 0.16 C 0.13 M 0.13 W 0.11 Q 0.11 E 0.08 K 0.07 C Shift Assignments>> C :: 174.534 CA :: 53.996 CB :: 30.764 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 :: 9.478 HA :: 5.112 HB2 :: 1.598 HB3 :: 1.598 HG2 :: 1.965 HG3 :: 2.093 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 :: 125.12 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.R54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.17 H 0.15 R 0.15 C 0.13 K 0.1 W 0.1 Q 0.08 E 0.08 C Shift Assignments>> C :: 175.829 CA :: 54.648 CB :: 31.387 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 :: 8.088 HA :: 5.122 HB2 :: 1.889 HB3 :: 1.889 HG2 :: 1.465 HG3 :: 1.465 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 :: 123.204 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.I55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 I 0.41 A 0.01 C Shift Assignments>> CA :: 58.172 CB :: 41.614 CG1 :: 27.642 CG2 :: 16.95 CD1 :: 14.148 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 :: 9.642 HA :: 4.69 HB :: 1.809 HG12 :: 1.147 HG13 :: 1.363 HG21 :: 1 HG22 :: 1 HG23 :: 1 HD11 :: 0.743 HD12 :: 0.743 HD13 :: 0.743 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 :: 126.317 Ave N Shift Values>> N :: 121.46(4.28) 1.P56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.79 C 0.2 C Shift Assignments>> C :: 175.922 CA :: 63.927 CB :: 31.624 CG :: 27.418 CD :: 51.163 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 :: 4.58 HB2 :: 2.434 HB3 :: 2.051 HG2 :: 2.252 HG3 :: 2.026 HD2 :: 3.881 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.Y57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.68 C 0.3 G 0.01 C Shift Assignments>> C :: 174.172 CA :: 59.077 CB :: 41.943 CE1 :: 118.269 CE2 :: 118.269 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 :: 8.282 HA :: 4.623 HB2 :: 2.544 HB3 :: 2.83 HD1 :: 6.999 HD2 :: 6.999 HE1 :: 6.631 HE2 :: 6.631 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 :: 123.836 Ave N Shift Values>> N :: 120.52(4.2) 1.N58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.54 D 0.21 C 0.07 L 0.05 F 0.05 Y 0.05 HN Overlap>> 1.M47 1.M47 2.D26 2.D26 C Shift Assignments>> C :: 174.978 CA :: 52.392 CB :: 39.219 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 :: 8.41 HA :: 4.894 HB2 :: 2.795 HB3 :: 2.582 HD21 :: 7.581 HD22 :: 6.797 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 124.061 ND2 :: 112.156 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.S59 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.647 CA :: 55.623 CB :: 62.819 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 5.793(S) HA :: 4.683 HB2 :: 3.483 HB3 :: 3.734 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 :: 113.211 Ave N Shift Values>> N :: 116.28(3.52) 1.T60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.72 C 0.27 C Shift Assignments>> C :: 175.881 CA :: 60.241 CB :: 72.084 CG2 :: 21.663 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 :: 8.148 HA :: 4.736 HB :: 4.68 HG21 :: 1.311 HG22 :: 1.311 HG23 :: 1.311 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 :: 109.213 Ave N Shift Values>> N :: 115.42(4.75) 1.A61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.53 A 0.4 I 0.03 C 0.02 C Shift Assignments>> C :: 179.997 CA :: 55.008 CB :: 18.053 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.786 HA :: 4.113 HB1 :: 1.597 HB2 :: 1.597 HB3 :: 1.597 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.566 Ave N Shift Values>> N :: 123.23(3.54) 1.V62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.89 C 0.1 C Shift Assignments>> C :: 178.191 CA :: 65.504 CB :: 31.822 CG1 :: 21.102 CG2 :: 22.121 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 :: 7.708 HA :: 3.8 HB :: 1.999 HG11 :: 0.968 HG12 :: 0.968 HG13 :: 0.968 HG21 :: 1.092 HG22 :: 1.092 HG23 :: 1.092 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 116.831 Ave N Shift Values>> N :: 121.14(4.54) 1.L63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.56 C 0.43 C Shift Assignments>> C :: 178.696 CA :: 57.644 CB :: 40.403 CG :: 27 CD1 :: 24.636 CD2 :: 23.44 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 :: 7.332 HA :: 4.18 HB2 :: 1.745 HB3 :: 1.745 HG :: 1.651 HD11 :: 0.936 HD12 :: 0.936 HD13 :: 0.936 HD21 :: 0.896 HD22 :: 0.896 HD23 :: 0.896 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.839 Ave N Shift Values>> N :: 121.86(3.9) 1.L64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.66 L 0.27 R 0.05 A 0.01 C Shift Assignments>> C :: 177.683 CA :: 57.902 CB :: 41.214 CG :: 27 CD1 :: 22.342 CD2 :: 26.816 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 :: 7.947 HA :: 3.956 HB2 :: 1.832 HB3 :: 1.535 HG :: 1.199 HD11 :: 0.395 HD12 :: 0.395 HD13 :: 0.395 HD21 :: 0.611 HD22 :: 0.611 HD23 :: 0.611 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 :: 121.874 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 0.26 V 0.2 W 0.11 K 0.09 R 0.07 H 0.05 E 0.05 M 0.05 P 0.03 Q 0.02 C Shift Assignments>> C :: 177.006 CA :: 60.167 CB :: 32.069 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.828 HA :: 3.223 HB2 :: 1.917 HB3 :: 1.917 HG2 :: 1.74 HG3 :: 1.74 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 :: 116.011 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Q66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 K 0.25 Q 0.23 R 0.09 E 0.03 M 0.02 I 0.01 C Shift Assignments>> C :: 177.943 CA :: 58.922 CB :: 28.283 CG :: 33.467 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 :: 7.379 HA :: 3.794 HB2 :: 2.182 HB3 :: 2.182 HG2 :: 2.316 HG3 :: 2.427 HE21 :: 7.678 HE22 :: 6.759 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 :: 115.939 NE2 :: 114.139 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.V67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.89 C 0.1 C Shift Assignments>> C :: 179.061 CA :: 65.652 CB :: 31.857 CG1 :: 20.834 CG2 :: 22.262 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 :: 7.98 HA :: 3.81 HB :: 2.209 HG11 :: 0.92 HG12 :: 0.92 HG13 :: 0.92 HG21 :: 1.105 HG22 :: 1.105 HG23 :: 1.105 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 117.803 Ave N Shift Values>> N :: 121.14(4.54) 1.L68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 L 0.42 A 0.01 C Shift Assignments>> C :: 178.51 CA :: 57.771 CB :: 41.393 CD1 :: 26.201 CD2 :: 21.908 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 :: 7.795 HA :: 4.126 HB2 :: 1.718 HB3 :: 1.718 HG :: 1.091 HD11 :: 0.195 HD12 :: 0.195 HD13 :: 0.195 HD21 :: 0.653 HD22 :: 0.653 HD23 :: 0.653 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 :: 119.371 Ave N Shift Values>> N :: 121.86(3.9) 1.V69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.78 C 0.21 C Shift Assignments>> C :: 178.919 CA :: 65.306 CB :: 31.331 CG1 :: 21.02 CG2 :: 23.686 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 :: 8.803 HA :: 3.723 HB :: 2.034 HG11 :: 0.905 HG12 :: 0.905 HG13 :: 0.905 HG21 :: 0.961 HG22 :: 0.961 HG23 :: 0.961 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 :: 119.803 Ave N Shift Values>> N :: 121.14(4.54) 1.D70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.2 D 0.19 Y 0.17 L 0.17 C 0.09 K 0.08 N 0.04 I 0.02 HN Overlap>> 1.D30 1.D30 C Shift Assignments>> C :: 178.146 CA :: 56.345 CB :: 40.641 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 :: 7.858 HA :: 4.364 HB2 :: 2.734 HB3 :: 2.555 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 :: 118.086 Ave N Shift Values>> N :: 120.65(3.86) 1.G71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.07 C 0.03 C Shift Assignments>> C :: 173.306 CA :: 45.92 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.733 HA2 :: 3.127 HA3 :: 3.759 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.274 Ave N Shift Values>> N :: 109.67(3.87) 1.F72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.28 Y 0.26 C 0.12 L 0.1 D 0.09 I 0.07 K 0.03 N 0.01 HN Overlap>> 2.R111 2.R111 C Shift Assignments>> C :: 175.342 CA :: 57.682 CB :: 40.27 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 :: 8.073 HA :: 4.764 HB2 :: 2.847 HB3 :: 2.666 HD1 :: 7.305 HE1 :: 7.105 HZ :: 6.806 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 118.443 Ave N Shift Values>> N :: 120.45(4.18) 1.E73 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 0.05 Q 0.02 M 0.02 C Shift Assignments>> C :: 177.591 CA :: 58.949 CB :: 29.626 CG :: 36.513 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 :: 8.815 HA :: 4.172 HB2 :: 2.06 HB3 :: 2.06 HG2 :: 2.302 HG3 :: 2.302 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 :: 125.301 Ave N Shift Values>> N :: 120.67(3.48) 1.E74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.41 C 0.38 I 0.08 K 0.07 Q 0.02 M 0.01 C Shift Assignments>> C :: 175.317 CA :: 56.025 CB :: 28.726 CG :: 36.972 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 :: 9.459 HA :: 4.449 HB2 :: 2.12 HB3 :: 2.12 HG2 :: 2.294 HG3 :: 2.294 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 :: 117.207 Ave N Shift Values>> N :: 120.67(3.48) 1.L75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.48 C 0.31 R 0.15 G 0.03 C Shift Assignments>> C :: 176.143 CA :: 56.245 CB :: 42.808 CG :: 27 CD1 :: 25.837 CD2 :: 26.095 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 :: 7.421 HA :: 4.36 HB2 :: 1.729 HB3 :: 1.84 HG :: 1.549 HD11 :: 0.693 HD12 :: 0.693 HD13 :: 0.693 HD21 :: 0.68 HD22 :: 0.68 HD23 :: 0.68 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 :: 123.769 Ave N Shift Values>> N :: 121.86(3.9) 1.V76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 V 0.48 C Shift Assignments>> C :: 175.252 CA :: 61.133 CB :: 35.417 CG1 :: 20.673 CG2 :: 21.012 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.006 HA :: 4.49 HB :: 2.048 HG11 :: 0.985 HG12 :: 0.985 HG13 :: 0.985 HG21 :: 0.947 HG22 :: 0.947 HG23 :: 0.947 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 126.358 Ave N Shift Values>> N :: 121.14(4.54) 1.E77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.15 R 0.14 E 0.14 W 0.14 C 0.12 Q 0.12 K 0.07 M 0.06 HN Overlap>> 2.I56 2.I56 C Shift Assignments>> C :: 175.769 CA :: 56.843 CB :: 30.293 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 :: 8.907 HA :: 4.658 HB2 :: 1.946 HB3 :: 2.058 HG2 :: 2.224 HG3 :: 2.224 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 :: 126.844 Ave N Shift Values>> N :: 120.67(3.48) 1.V78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.7 V 0.29 C Shift Assignments>> C :: 175.718 CA :: 59.536 CB :: 33.793 CG1 :: 22.486 CG2 :: 18.906 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 :: 8.067 HA :: 4.643 HB :: 2.326 HG11 :: 0.832 HG12 :: 0.832 HG13 :: 0.832 HG21 :: 0.566 HG22 :: 0.566 HG23 :: 0.566 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 :: 119.02 Ave N Shift Values>> N :: 121.14(4.54) 1.E79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 E 0.3 I 0.22 K 0.06 Q 0.03 HN Overlap>> 1.K101 1.K101 C Shift Assignments>> C :: 177.367 CA :: 59.769 CB :: 29.025 CG :: 36.225 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 :: 8.647 HA :: 3.877 HB2 :: 1.993 HB3 :: 1.993 HG2 :: 2.276 HG3 :: 2.276 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.347 Ave N Shift Values>> N :: 120.67(3.48) 1.S80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.259 CA :: 57.48 CB :: 63.285 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.849 HA :: 4.445 HB2 :: 3.984 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 :: 110.397 Ave N Shift Values>> N :: 116.28(3.52) 1.G81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 L 0.07 C 0.03 C Shift Assignments>> C :: 171.864 CA :: 45.717 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.547 HA2 :: 4.346 HA3 :: 3.36 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.133 Ave N Shift Values>> N :: 109.67(3.87) 1.F82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.34 R 0.26 G 0.17 D 0.07 C 0.05 F 0.04 Y 0.02 K 0.01 C Shift Assignments>> C :: 174.45 CA :: 55.323 CB :: 44.05 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 9.067 HA :: 5.597 HB2 :: 3.157 HB3 :: 2.527 HD1 :: 6.907 HD2 :: 6.907 HE1 :: 7.176 HE2 :: 7.176 HZ :: 7.297 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 :: 120.838 Ave N Shift Values>> N :: 120.45(4.18) 1.M83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.49 C 0.39 A 0.1 C Shift Assignments>> C :: 175.567 CA :: 54.315 CB :: 35.276 CG :: 31.929 CE :: 15.505 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 :: 9.421 HA :: 5.58 HB2 :: 2.028 HB3 :: 1.778 HG2 :: 2.452 HG3 :: 2.257 HE1 :: 1.947 HE2 :: 1.947 HE3 :: 1.947 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 118.99 Ave N Shift Values>> N :: 120.09(3.57) 1.V84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.65 C 0.34 HN Overlap>> 2.I63 2.I63 C Shift Assignments>> C :: 175.669 CA :: 62.043 CB :: 33.336 CG1 :: 20.966 CG2 :: 21.508 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 :: 8.312 HA :: 3.886 HB :: 1.443 HG11 :: 0.264 HG12 :: 0.264 HG13 :: 0.264 HG21 :: 0.393 HG22 :: 0.393 HG23 :: 0.393 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 122.548 Ave N Shift Values>> N :: 121.14(4.54) 1.G85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.83 C 0.07 L 0.04 A 0.01 P 0.01 C Shift Assignments>> C :: 174.885 CA :: 47.304 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.649 HA2 :: 3.711 HA3 :: 3.509 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 115.645 Ave N Shift Values>> N :: 109.67(3.87) 1.N86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.58 D 0.12 C 0.1 Y 0.06 F 0.06 L 0.03 M 0.01 E 0.01 C Shift Assignments>> C :: 174.34 CA :: 52.883 CB :: 38.361 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 :: 8.337 HA :: 4.964 HB2 :: 3.089 HB3 :: 2.784 HD21 :: 8.777 HD22 :: 6.932 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 123.483 ND2 :: 117.99 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.V87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.72 C 0.27 C Shift Assignments>> C :: 173.814 CA :: 62.972 CB :: 31.557 CG1 :: 21.552 CG2 :: 20.779 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 :: 8.526 HA :: 4.274 HB :: 2.115 HG11 :: 0.558 HG12 :: 0.558 HG13 :: 0.558 HG21 :: 0.445 HG22 :: 0.445 HG23 :: 0.445 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 122.91 Ave N Shift Values>> N :: 121.14(4.54) 1.H88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.39 W 0.33 C 0.26 C Shift Assignments>> C :: 174.3 CA :: 55.033 CB :: 31.73 CD2 :: 120.583 CE1 :: 137.25 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 :: 8.976 HA :: 5.431 HB2 :: 3.448 HB3 :: 3.191 HD2 :: 7.083 HE1 :: 7.932 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 127.881 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.I89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 I 0.44 C Shift Assignments>> C :: 174.276 CA :: 60.962 CB :: 41.183 CG1 :: 27.492 CG2 :: 18.071 CD1 :: 16.421 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 :: 9.014 HA :: 4.773 HB :: 1.651 HG12 :: 1.485 HG13 :: 1.485 HG21 :: 0.626 HG22 :: 0.626 HG23 :: 0.626 HD11 :: 0.616 HD12 :: 0.616 HD13 :: 0.616 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 :: 126.96 Ave N Shift Values>> N :: 121.46(4.28) 1.V90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.64 V 0.35 HN Overlap>> 2.I116 2.I116 C Shift Assignments>> C :: 173.744 CA :: 60.38 CB :: 35.715 CG1 :: 20.42 CG2 :: 20.74 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 :: 8.631 HA :: 4.436 HB :: 1.892 HG11 :: 0.787 HG12 :: 0.787 HG13 :: 0.787 HG21 :: 0.668 HG22 :: 0.668 HG23 :: 0.668 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 124.118 Ave N Shift Values>> N :: 121.14(4.54) 1.L91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.7 C 0.23 K 0.02 A 0.01 G 0.01 C Shift Assignments>> C :: 175.761 CA :: 54.48 CB :: 42.212 CD1 :: 23.918 CD2 :: 25.741 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 :: 8.752 HA :: 4.76 HB2 :: 1.149 HB3 :: 1.896 HG :: 1.52 HD11 :: 0.858 HD12 :: 0.858 HD13 :: 0.858 HD21 :: 0.942 HD22 :: 0.942 HD23 :: 0.942 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 127.653 Ave N Shift Values>> N :: 121.86(3.9) 1.S92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.707 CA :: 56.281 CB :: 63.407 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.93 HA :: 4.715 HB2 :: 3.554 HB3 :: 3.804 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 123.607 Ave N Shift Values>> N :: 116.28(3.52) 1.G93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.78 C 0.09 L 0.04 P 0.03 A 0.03 C Shift Assignments>> C :: 174.491 CA :: 47.509 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.909 HA2 :: 4.569 HA3 :: 4.569 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 116.624 Ave N Shift Values>> N :: 109.67(3.87) 1.Q94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.31 C 0.27 K 0.2 E 0.11 R 0.06 C Shift Assignments>> C :: 175.341 CA :: 55.218 CB :: 27.94 CG :: 34.627 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 :: 8.853 HA :: 3.975 HB2 :: 1.939 HB3 :: 2.072 HG2 :: 2.43 HG3 :: 2.43 HE21 :: 7.635 HE22 :: 6.885 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 :: 124.632 NE2 :: 112.05 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.E95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 M 0.27 E 0.16 Q 0.01 C Shift Assignments>> C :: 174.166 CA :: 55.084 CB :: 33.307 CG :: 36.354 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 :: 7.775 HA :: 5.065 HB2 :: 1.836 HB3 :: 1.836 HG2 :: 2.071 HG3 :: 2.071 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 :: 118.788 Ave N Shift Values>> N :: 120.67(3.48) 1.V96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 V 0.46 HN Overlap>> 2.R69 2.R69 C Shift Assignments>> C :: 174.381 CA :: 61.317 CB :: 32.812 CG1 :: 22.141 CG2 :: 23.701 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.277 HA :: 4.556 HB :: 1.66 HG11 :: 0.592 HG12 :: 0.592 HG13 :: 0.592 HG21 :: 0.47 HG22 :: 0.47 HG23 :: 0.47 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 :: 123.845 Ave N Shift Values>> N :: 121.14(4.54) 1.V97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.6 C 0.39 C Shift Assignments>> C :: 175.409 CA :: 61.332 CB :: 33.2 CG1 :: 21.499 CG2 :: 21.39 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.256 HA :: 4.758 HB :: 1.962 HG11 :: 0.81 HG12 :: 0.81 HG13 :: 0.81 HG21 :: 0.863 HG22 :: 0.863 HG23 :: 0.863 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 127.926 Ave N Shift Values>> N :: 121.14(4.54) 1.L98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.28 G 0.25 C 0.23 R 0.21 C Shift Assignments>> C :: 176.685 CA :: 53.015 CB :: 43.818 CG :: 28.6 CD1 :: 25.638 CD2 :: 25.837 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 :: 9.249 HA :: 5.555 HB2 :: 1.414 HB3 :: 1.573 HG :: 1.592 HD11 :: 0.655 HD12 :: 0.655 HD13 :: 0.655 HD21 :: 0.604 HD22 :: 0.604 HD23 :: 0.604 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 :: 128.806 Ave N Shift Values>> N :: 121.86(3.9) 1.E99 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.81 M 0.1 E 0.06 C Shift Assignments>> C :: 176.113 CA :: 55.117 CB :: 34.015 CG :: 37.403 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 :: 9.253 HA :: 5.902(S) HB2 :: 2.152 HB3 :: 2.152 HG2 :: 2.432 HG3 :: 2.234 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.473 Ave N Shift Values>> N :: 120.67(3.48) 1.W100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.77 H 0.11 W 0.08 Y 0.02 HN Overlap>> 2.E80 2.E80 C Shift Assignments>> C :: 172.491 CA :: 57.506 CB :: 34.153 CZ2 :: 115.856 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 :: 9.269 HA :: 5.134 HB2 :: 2.997 HB3 :: 2.997 HD1 :: 7.049 HE1 :: 10.593 HE3 :: 6.704 HZ2 :: 7.28 HZ3 :: 7.076 HH2 :: 6.951 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 :: 125.717 NE1 :: 128.356 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.K101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.51 C 0.35 R 0.12 HN Overlap>> 1.E79 1.E79 C Shift Assignments>> C :: 177.285 CA :: 55.39 CB :: 32.729 CG :: 24.531 CD :: 28.933 CE :: 41.994 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 :: 8.649 HA :: 4.565 HB2 :: 1.77 HB3 :: 1.747 HG2 :: 1.243 HG3 :: 1.339 HD2 :: 1.375 HD3 :: 1.375 HE2 :: 3.002 HE3 :: 3.002 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 121.328 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.S102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.E21 1.E21 C Shift Assignments>> C :: 175.368 CA :: 61.89 CB :: 64.003 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.609 HA :: 4.015 HB2 :: 3.934 HB3 :: 3.934 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 :: 119.673 Ave N Shift Values>> N :: 116.28(3.52) 1.S103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 T 0.01 C Shift Assignments>> C :: 173.474 CA :: 57.656 CB :: 65.598 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.448 HA :: 4.216 HB2 :: 3.935 HB3 :: 3.935 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 :: 118.138 Ave N Shift Values>> N :: 116.28(3.52) 1.Y104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.52 Y 0.47 C Shift Assignments>> C :: 177.9 CA :: 62.02 CB :: 37.329 CE1 :: 118.222 CE2 :: 118.222 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>> HA :: 4.203 HB2 :: 2.958 HB3 :: 2.958 HD1 :: 7.076 HD2 :: 7.076 HE1 :: 6.76 HE2 :: 6.76 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) 1.T105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.96 C 0.03 C Shift Assignments>> C :: 177.34 CA :: 65.706 CB :: 68.538 CG2 :: 22.097 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 :: 8.205 HA :: 3.731 HB :: 4.023 HG21 :: 1.227 HG22 :: 1.227 HG23 :: 1.227 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 111.039 Ave N Shift Values>> N :: 115.42(4.75) 1.D106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.25 F 0.19 Y 0.14 L 0.13 C 0.08 R 0.08 D 0.05 I 0.03 C Shift Assignments>> C :: 176.641 CA :: 58.232 CB :: 41.874 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 :: 8.114 HA :: 4.498 HB2 :: 2.707 HB3 :: 2.707 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 :: 121.372 Ave N Shift Values>> N :: 120.65(3.86) 1.D107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.3 F 0.28 C 0.16 I 0.1 D 0.05 L 0.04 N 0.02 E 0.01 C Shift Assignments>> C :: 180.212 CA :: 57.753 CB :: 39.211 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 :: 8.502 HA :: 4.654 HB2 :: 2.72 HB3 :: 3.188 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 :: 120.203 Ave N Shift Values>> N :: 120.65(3.86) 1.V108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.92 C 0.07 C Shift Assignments>> C :: 178.839 CA :: 66.676 CB :: 31.236 CG1 :: 21.477 CG2 :: 22.496 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 :: 7.454 HA :: 3.59 HB :: 2.01 HG11 :: 0.856 HG12 :: 0.856 HG13 :: 0.856 HG21 :: 0.777 HG22 :: 0.777 HG23 :: 0.777 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 :: 120.512 Ave N Shift Values>> N :: 121.14(4.54) 1.L109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.55 C 0.43 C Shift Assignments>> C :: 178.835 CA :: 57.821 CB :: 41.601 CG :: 27.401 CD1 :: 24.006 CD2 :: 23.983 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 :: 7.757 HA :: 4 HB2 :: 1.733 HB3 :: 1.296 HG :: 1.475 HD11 :: 0.809 HD12 :: 0.809 HD13 :: 0.809 HD21 :: 0.798 HD22 :: 0.798 HD23 :: 0.798 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 :: 122.875 Ave N Shift Values>> N :: 121.86(3.9) 1.A110 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> M 0.74 A 0.17 I 0.05 C 0.01 C Shift Assignments>> CA :: 55.656 CB :: 16.938 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.317 HA :: 3.396 HB1 :: 0.278(S) HB2 :: 0.278(S) HB3 :: 0.278(S) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.513 Ave N Shift Values>> N :: 123.23(3.54) 1.I111 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>> C :: 178.24 CA :: 65.447 CB :: 37.617 CG1 :: 29.482 CG2 :: 16.884 CD1 :: 13.44 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 :: 7.345 HA :: 3.858 HB :: 2.009 HG12 :: 1.886 HG13 :: 1.171 HG21 :: 0.948 HG22 :: 0.948 HG23 :: 0.948 HD11 :: 0.766 HD12 :: 0.766 HD13 :: 0.766 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 :: 118.681 Ave N Shift Values>> N :: 121.46(4.28) 1.S112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.26 T 0.24 I 0.19 P 0.15 C 0.05 F 0.02 Y 0.02 S 0.01 W 0.01 HN Overlap>> 2.R61 2.R61 C Shift Assignments>> C :: 177.135 CA :: 62.486 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.659 HA :: 4.232 HB2 :: 3.923 HB3 :: 4.069 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 :: 117.681 Ave N Shift Values>> N :: 116.28(3.52) 1.I113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.9 C 0.09 C Shift Assignments>> C :: 177.432 CA :: 65.827 CB :: 38.283 CG1 :: 28.904 CG2 :: 17.913 CD1 :: 14.265 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 :: 8.539 HA :: 3.618 HB :: 1.539 HG12 :: 1.515 HG13 :: 0.18 HG21 :: 0.599 HG22 :: 0.599 HG23 :: 0.599 HD11 :: 0.283 HD12 :: 0.283 HD13 :: 0.283 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 :: 122.74 Ave N Shift Values>> N :: 121.46(4.28) 1.S114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.25 V 0.24 I 0.2 P 0.12 C 0.06 F 0.02 Y 0.02 S 0.02 W 0.01 C Shift Assignments>> C :: 174.084 CA :: 62.263 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.265 HA :: 3.918 HB2 :: 3.807 HB3 :: 3.807 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 :: 113.564 Ave N Shift Values>> N :: 116.28(3.52) 1.K115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 K 0.44 R 0.1 C Shift Assignments>> C :: 178.438 CA :: 58.699 CB :: 32.197 CG :: 25.013 CD :: 29.068 CE :: 41.981 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 :: 7.996 HA :: 4.13 HB2 :: 1.905 HB3 :: 1.905 HG2 :: 1.519 HG3 :: 1.623 HD2 :: 1.668 HD3 :: 1.668 HE2 :: 2.941 HE3 :: 2.941 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 :: 119.865 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.M116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 M 0.47 A 0.01 C Shift Assignments>> C :: 177.848 CA :: 57.8 CB :: 32.822 CG :: 31.422 CE :: 17.093 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 :: 7.701 HA :: 4.239 HB2 :: 2.063 HB3 :: 2.289 HG2 :: 2.514 HG3 :: 2.613 HE1 :: 1.712 HE2 :: 1.712 HE3 :: 1.712 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 117.315 Ave N Shift Values>> N :: 120.09(3.57) 1.I117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.75 C 0.24 C Shift Assignments>> C :: 175.851 CA :: 62.326 CB :: 38.154 CG1 :: 26.503 CG2 :: 17.507 CD1 :: 14.119 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 :: 7.567 HA :: 4.227 HB :: 2.023 HG12 :: 1.486 HG13 :: 1.177 HG21 :: 0.752 HG22 :: 0.752 HG23 :: 0.752 HD11 :: 0.566 HD12 :: 0.566 HD13 :: 0.566 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 :: 112.206 Ave N Shift Values>> N :: 121.46(4.28) 1.S118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.506 CA :: 59.058 CB :: 64.383 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.713 HA :: 4.527 HB2 :: 3.98 HB3 :: 3.896 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.744 Ave N Shift Values>> N :: 116.28(3.52) 1.D119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.23 L 0.22 R 0.12 D 0.12 F 0.12 Y 0.08 C 0.05 C Shift Assignments>> C :: 181.214 CA :: 56.503 CB :: 42.136 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 :: 7.994 HA :: 4.452 HB2 :: 2.606 HB3 :: 2.664 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 128.149 Ave N Shift Values>> N :: 120.65(3.86) 2.M1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.S2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.D3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> D 0.31 L 0.21 F 0.1 N 0.1 K 0.09 Y 0.08 C 0.06 R 0.01 C Shift Assignments>> C :: 176.124 CA :: 54.522 CB :: 41.024 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>> HA :: 4.714 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) 2.V4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.64 C 0.35 HN Overlap>> 2.N57 2.N57 C Shift Assignments>> C :: 175.938 CA :: 62.077 CB :: 32.084 CG1 :: 21.22 CG2 :: 20.107 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 :: 8.188 HA :: 4.202 HB :: 2.142 HG11 :: 0.931 HG12 :: 0.931 HG13 :: 0.931 HG21 :: 0.932 HG22 :: 0.932 HG23 :: 0.932 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 :: 119.77 Ave N Shift Values>> N :: 121.14(4.54) 2.S5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.046 CA :: 58.496 CB :: 63.826 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.339 HA :: 4.425 HB2 :: 3.613 HB3 :: 3.613 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 :: 119.598 Ave N Shift Values>> N :: 116.28(3.52) 2.M6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.49 C 0.35 A 0.13 C Shift Assignments>> C :: 175.921 CA :: 55.576 CB :: 32.757 CE :: 17.125 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 :: 8.116 HA :: 4.417 HB2 :: 1.945 HB3 :: 1.668 HG2 :: 2.277 HG3 :: 2.277 HE1 :: 1.962 HE2 :: 1.962 HE3 :: 1.962 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 :: 121.1 Ave N Shift Values>> N :: 120.09(3.57) 2.G7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.66 L 0.18 R 0.06 C 0.03 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> C :: 172.134 CA :: 44.787 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.035 HA2 :: 3.866 HA3 :: 3.962 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.692 Ave N Shift Values>> N :: 109.67(3.87) 2.M8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.48 C 0.25 A 0.25 C Shift Assignments>> C :: 176.978 CA :: 53.523 CB :: 33.358 CE :: 16.358 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 :: 8.055 HA :: 5.418 HB2 :: 1.89 HB3 :: 1.89 HG2 :: 2.362 HG3 :: 2.362 HE1 :: 1.897 HE2 :: 1.897 HE3 :: 1.897 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 118.576 Ave N Shift Values>> N :: 120.09(3.57) 2.V9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.87 V 0.1 A 0.01 C Shift Assignments>> C :: 174.403 CA :: 58.691 CB :: 35.756 CG1 :: 22.439 CG2 :: 18.714 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.107 HA :: 4.82 HB :: 1.903 HG11 :: 0.683 HG12 :: 0.683 HG13 :: 0.683 HG21 :: 0.563 HG22 :: 0.563 HG23 :: 0.563 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 :: 115.589 Ave N Shift Values>> N :: 121.14(4.54) 2.K10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.23 Q 0.22 K 0.17 C 0.17 H 0.05 R 0.05 W 0.03 E 0.01 C Shift Assignments>> C :: 175.472 CA :: 55.262 CB :: 33.645 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 :: 8.739 HA :: 4.711 HB2 :: 1.8 HB3 :: 1.93 HG2 :: 1.487 HG3 :: 1.487 HD2 :: 1.643 HD3 :: 1.643 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 :: 120.858 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.L11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.57 A 0.24 C 0.17 HN Overlap>> 2.D16 2.D16 C Shift Assignments>> C :: 177.583 CA :: 53.547 CB :: 41.236 CG :: 26.02 CD1 :: 24.85 CD2 :: 21.922 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 :: 8.166 HA :: 4.869 HB2 :: 1.48 HB3 :: 1.48 HG :: 1.145 HD11 :: 0.171 HD12 :: 0.171 HD13 :: 0.171 HD21 :: -0.078 HD22 :: -0.078 HD23 :: -0.078 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 :: 120.389 Ave N Shift Values>> N :: 121.86(3.9) 2.D12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.31 D 0.24 R 0.17 G 0.06 K 0.05 C 0.04 N 0.03 F 0.03 Y 0.01 C Shift Assignments>> C :: 177.043 CA :: 52.506 CB :: 42.915 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 :: 7.952 HA :: 4.861 HB2 :: 2.865 HB3 :: 3.359 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 :: 122.358 Ave N Shift Values>> N :: 120.65(3.86) 2.K13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.17 K 0.14 M 0.13 R 0.13 W 0.11 H 0.11 E 0.09 Q 0.05 V 0.03 HN Overlap>> 1.D29 1.D29 C Shift Assignments>> C :: 179.171 CA :: 57.755 CB :: 31.87 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 :: 8.163 HA :: 4.228 HB2 :: 1.917 HB3 :: 1.917 HG2 :: 1.503 HG3 :: 1.503 HD2 :: 1.698 HD3 :: 1.698 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 :: 115.899 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.G14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 C 0.06 L 0.05 C Shift Assignments>> C :: 176.57 CA :: 46.981 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.474 HA2 :: 4.049 HA3 :: 3.859 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.711 Ave N Shift Values>> N :: 109.67(3.87) 2.F15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.53 C 0.19 Y 0.14 F 0.11 E 0.01 C Shift Assignments>> C :: 177.777 CA :: 62.01 CB :: 38.111 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 :: 7.523 HA :: 4.019 HB2 :: 3.037 HB3 :: 2.943 HD1 :: 7.396 HD2 :: 7.396 HE1 :: 6.258 HE2 :: 6.258 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 :: 117.485 Ave N Shift Values>> N :: 120.45(4.18) 2.D16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.22 Y 0.2 D 0.19 L 0.13 C 0.11 N 0.08 I 0.03 K 0.01 HN Overlap>> 2.L11 2.L11 C Shift Assignments>> C :: 176.6 CA :: 56.207 CB :: 39.98 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 :: 8.082 HA :: 4.719 HB2 :: 2.811 HB3 :: 2.811 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 :: 120.331 Ave N Shift Values>> N :: 120.65(3.86) 2.A17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.91 M 0.05 C 0.01 C Shift Assignments>> C :: 177.656 CA :: 51.713 CB :: 19.38 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.169 HA :: 4.528 HB1 :: 1.407 HB2 :: 1.407 HB3 :: 1.407 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.706 Ave N Shift Values>> N :: 123.23(3.54) 2.L18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.41 L 0.31 C 0.26 C Shift Assignments>> C :: 175.126 CA :: 54.412 CB :: 41.674 CD1 :: 26.219 CD2 :: 21.005 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 :: 6.641 HA :: 4.101 HB2 :: 1.492 HB3 :: 1.236 HD11 :: 0.793 HD12 :: 0.793 HD13 :: 0.793 HD21 :: 0.668 HD22 :: 0.668 HD23 :: 0.668 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 :: 117.216 Ave N Shift Values>> N :: 121.86(3.9) 2.N19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.68 C 0.12 D 0.07 Y 0.03 F 0.03 M 0.01 L 0.01 E 0.01 C Shift Assignments>> C :: 174.423 CA :: 51.731 CB :: 37.796 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 :: 8.657 HA :: 4.886 HB2 :: 2.777 HB3 :: 2.688 HD21 :: 7.621 HD22 :: 6.81 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 :: 119.442 ND2 :: 112.62 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 2.Y20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.65 C 0.34 C Shift Assignments>> C :: 176.816 CA :: 59.359 CB :: 39.321 CE1 :: 118.218 CE2 :: 118.218 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 :: 8.079 HA :: 4.447 HB2 :: 2.813 HB3 :: 2.813 HD1 :: 6.944 HD2 :: 6.944 HE1 :: 6.795 HE2 :: 6.795 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 :: 122.117 Ave N Shift Values>> N :: 120.52(4.2) 2.R21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.24 C 0.17 H 0.14 R 0.13 K 0.12 W 0.07 Q 0.05 E 0.04 C Shift Assignments>> C :: 174.886 CA :: 53.398 CB :: 32.027 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 :: 9.263 HA :: 4.697 HB2 :: 1.941 HB3 :: 1.786 HG2 :: 1.597 HG3 :: 1.54 HD2 :: 3.287 HD3 :: 3.287 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 122.567 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 2.A22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.88 L 0.06 C 0.04 M 0.01 C Shift Assignments>> C :: 178.33 CA :: 51.411 CB :: 20.942 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.371 HA :: 5.298 HB1 :: 1.357 HB2 :: 1.357 HB3 :: 1.357 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.742 Ave N Shift Values>> N :: 123.23(3.54) 2.I23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.74 C 0.25 C Shift Assignments>> C :: 176.373 CA :: 62.209 CB :: 38.944 CG1 :: 27.357 CG2 :: 16.799 CD1 :: 13.335 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 :: 8.061 HA :: 3.999 HB :: 1.422 HG12 :: 1.054 HG13 :: 0.483 HG21 :: 0.683 HG22 :: 0.683 HG23 :: 0.683 HD11 :: -0.02 HD12 :: -0.02 HD13 :: -0.02 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 :: 121.974 Ave N Shift Values>> N :: 121.46(4.28) 2.G24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.85 C 0.06 L 0.04 A 0.01 C Shift Assignments>> C :: 176.046 CA :: 47.1 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.079 HA2 :: 4.181 HA3 :: 3.673 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 116.743 Ave N Shift Values>> N :: 109.67(3.87) 2.T25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.89 C 0.1 C Shift Assignments>> C :: 174.561 CA :: 61.759 CB :: 68.675 CG2 :: 21.405 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 :: 8.736 HA :: 4.323 HB :: 4.593 HG21 :: 1.193 HG22 :: 1.193 HG23 :: 1.193 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 :: 118.032 Ave N Shift Values>> N :: 115.42(4.75) 2.D26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.27 L 0.26 K 0.15 F 0.07 R 0.05 N 0.05 Y 0.05 C 0.04 HN Overlap>> 1.M47 1.N58 1.M47 1.N58 C Shift Assignments>> C :: 176.048 CA :: 54.262 CB :: 41.832 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 :: 8.509 HA :: 5.195 HB2 :: 2.563 HB3 :: 3.131 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 :: 124.065 Ave N Shift Values>> N :: 120.65(3.86) 2.S27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.086 CA :: 57.304 CB :: 64.942 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.155 HA :: 5.304 HB2 :: 3.626 HB3 :: 3.626 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 :: 117.854 Ave N Shift Values>> N :: 116.28(3.52) 2.V28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.7 V 0.29 C Shift Assignments>> C :: 174.342 CA :: 59.408 CB :: 35.853 CG1 :: 21.984 CG2 :: 20.603 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.225 HA :: 5.905 HB :: 1.849 HG11 :: 0.795 HG12 :: 0.795 HG13 :: 0.795 HG21 :: 0.692 HG22 :: 0.692 HG23 :: 0.692 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 :: 119.797 Ave N Shift Values>> N :: 121.14(4.54) 2.A29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.62 C 0.15 K 0.12 A 0.07 C Shift Assignments>> C :: 175.387 CA :: 52.159 CB :: 23.714 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.583 HA :: 4.777 HB1 :: 1.02 HB2 :: 1.02 HB3 :: 1.02 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.052 Ave N Shift Values>> N :: 123.23(3.54) 2.S30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.841 CA :: 55.148 CB :: 65.078 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.901 HA :: 5.416 HB2 :: 3.751 HB3 :: 3.751 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 :: 115.313 Ave N Shift Values>> N :: 116.28(3.52) 2.F31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.28 L 0.26 K 0.12 D 0.09 F 0.08 Y 0.05 C 0.05 G 0.02 C Shift Assignments>> C :: 171.962 CA :: 56.386 CB :: 42.952 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 :: 8.895 HA :: 5.246 HB2 :: 3.049 HB3 :: 3.049 HD1 :: 6.787 HD2 :: 6.787 HE1 :: 6.924 HE2 :: 6.924 HZ :: 7.256 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 121.82 Ave N Shift Values>> N :: 120.45(4.18) 2.R32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.37 C 0.3 K 0.26 G 0.04 C Shift Assignments>> C :: 175.411 CA :: 54.816 CB :: 31.529 CG :: 28.537 CD :: 42.984 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 :: 8.121 HA :: 4.582 HB2 :: 1.294 HB3 :: 1.458 HG2 :: 1.477 HG3 :: 1.324 HD2 :: 3.119 HD3 :: 3.119 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 :: 120.69 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 2.G33 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.51 L 0.23 R 0.12 C 0.04 F 0.03 D 0.02 Y 0.01 C Shift Assignments>> C :: 171.091 CA :: 44.505 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.652 HA2 :: 5.237(S) HA3 :: 3.178 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 113.247 Ave N Shift Values>> N :: 109.67(3.87) 2.V34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.54 C 0.45 C Shift Assignments>> C :: 174.943 CA :: 61.264 CB :: 35.099 CG1 :: 21.475 CG2 :: 21.602 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 :: 8.685 HA :: 4.605 HB :: 1.893 HG11 :: 0.898 HG12 :: 0.898 HG13 :: 0.898 HG21 :: 0.808 HG22 :: 0.808 HG23 :: 0.808 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 :: 115.993 Ave N Shift Values>> N :: 121.14(4.54) 2.R35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 R 0.3 G 0.29 C Shift Assignments>> C :: 174.953 CA :: 55.834 CB :: 30.485 CG :: 28 CD :: 44.511 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 :: 9.182 HA :: 5.008 HB2 :: 2.095 HB3 :: 2.095 HG2 :: 1.635 HG3 :: 1.635 HD2 :: 3.123 HD3 :: 3.355 HE :: 7.657 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 :: 129.794 NE :: 85.122 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 2.D36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 L 0.28 K 0.1 R 0.09 N 0.06 C 0.04 F 0.04 Y 0.02 G 0.01 C Shift Assignments>> C :: 175.825 CA :: 52.73 CB :: 42.272 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 :: 9.005 HA :: 4.965 HB2 :: 2.388 HB3 :: 2.779 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 :: 130.134 Ave N Shift Values>> N :: 120.65(3.86) 2.G37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.75 C 0.09 P 0.04 L 0.03 A 0.03 N 0.01 C Shift Assignments>> C :: 174.635 CA :: 47.579 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.438 HA2 :: 4.005 HA3 :: 3.708 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 116.55 Ave N Shift Values>> N :: 109.67(3.87) 2.D38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 N 0.25 L 0.14 F 0.1 Y 0.08 C 0.07 K 0.01 C Shift Assignments>> C :: 174.034 CA :: 53.926 CB :: 40.155 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 :: 8.688 HA :: 4.803 HB2 :: 2.885 HB3 :: 2.885 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 :: 127.809 Ave N Shift Values>> N :: 120.65(3.86) 2.M39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.43 C 0.29 A 0.26 C Shift Assignments>> C :: 175.304 CA :: 53.795 CB :: 35.733 CG :: 31.564 CE :: 16.455 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 :: 7.884 HA :: 5.344 HB2 :: 2.109 HB3 :: 2.109 HG2 :: 2.496 HG3 :: 2.496 HE1 :: 2.016 HE2 :: 2.016 HE3 :: 2.016 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 118.644 Ave N Shift Values>> N :: 120.09(3.57) 2.V40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.52 C 0.47 HN Overlap>> 2.D55 2.D55 C Shift Assignments>> C :: 174.059 CA :: 61.075 CB :: 33.551 CG1 :: 22.293 CG2 :: 22.785 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 :: 8.759 HA :: 4.97 HB :: 1.914 HG11 :: 1.074 HG12 :: 1.074 HG13 :: 1.074 HG21 :: 0.961 HG22 :: 0.961 HG23 :: 0.961 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 :: 121.678 Ave N Shift Values>> N :: 121.14(4.54) 2.R41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.21 H 0.15 C 0.15 R 0.14 K 0.11 W 0.09 Q 0.06 E 0.06 C Shift Assignments>> C :: 175.483 CA :: 53.914 CB :: 31.626 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 :: 8.925 HA :: 4.675 HB2 :: 1.668 HB3 :: 1.668 HG2 :: 1.506 HG3 :: 1.506 HD2 :: 2.843 HD3 :: 2.925 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 125.032 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 2.C42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.39 L 0.22 C 0.2 R 0.05 I 0.04 Q 0.02 W 0.01 H 0.01 V 0.01 C Shift Assignments>> C :: 175.49 CA :: 58.189 CB :: 24.838 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.886 HA :: 4.327 HB2 :: 3.194 HB3 :: 3.109 HG :: 0.321 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 :: 124.48 Ave N Shift Values>> N :: 120.17(4.64) 2.I43 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>> C :: 175.627 CA :: 61.497 CB :: 38.07 CG1 :: 27.181 CG2 :: 17.395 CD1 :: 13.05 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 :: 9.004 HA :: 4.287 HB :: 1.867 HG12 :: 1.077 HG13 :: 1.077 HG21 :: 0.772 HG22 :: 0.772 HG23 :: 0.772 HD11 :: 0.648 HD12 :: 0.648 HD13 :: 0.648 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 :: 126.694 Ave N Shift Values>> N :: 121.46(4.28) 2.G44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.71 L 0.15 R 0.04 C 0.03 F 0.01 D 0.01 C Shift Assignments>> C :: 171.358 CA :: 44.919 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.6 HA2 :: 4.192 HA3 :: 3.862 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.937 Ave N Shift Values>> N :: 109.67(3.87) 2.E45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.38 C 0.33 M 0.08 K 0.07 Q 0.07 I 0.03 C Shift Assignments>> C :: 176.621 CA :: 57.048 CB :: 30.153 CG :: 36.098 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 :: 8.437 HA :: 4.078 HB2 :: 2.032 HB3 :: 2.032 HG2 :: 2.302 HG3 :: 2.376 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.859 Ave N Shift Values>> N :: 120.67(3.48) 2.G46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.29 R 0.28 G 0.24 F 0.04 D 0.04 C 0.04 Y 0.02 C Shift Assignments>> C :: 171.03 CA :: 43.971 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.677 HA2 :: 3.142 HA3 :: 3.553 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.274 Ave N Shift Values>> N :: 109.67(3.87) 2.P47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.92 C 0.03 R 0.02 C Shift Assignments>> CB :: 32.196 CG :: 27.219 CD :: 49.861 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>> HG2 :: 2.042 HG3 :: 1.99 HD2 :: 3.602 HD3 :: 4.079 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 2.R48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.19 K 0.18 M 0.15 Q 0.1 R 0.09 H 0.08 W 0.07 E 0.05 V 0.04 C Shift Assignments>> C :: 177.626 CA :: 57.675 CB :: 32.7 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 :: 5.092 HB2 :: 2.01 HB3 :: 2.01 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) 2.M49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 M 0.29 A 0.21 I 0.06 HN Overlap>> 1.D7 1.D7 C Shift Assignments>> C :: 172.861 CA :: 55.242 CB :: 36.946 CE :: 16.677 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 :: 8.266 HA :: 4.624 HB2 :: 1.802 HB3 :: 1.802 HG2 :: 2.247 HG3 :: 2.014 HE1 :: 1.793 HE2 :: 1.793 HE3 :: 1.793 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 119.983 Ave N Shift Values>> N :: 120.09(3.57) 2.V50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.61 C 0.38 C Shift Assignments>> C :: 175.696 CA :: 61.599 CB :: 31.901 CG1 :: 20.986 CG2 :: 21.333 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 :: 8.555 HA :: 4.778 HB :: 2.162 HG11 :: 0.439 HG12 :: 0.439 HG13 :: 0.439 HG21 :: 0.681 HG22 :: 0.681 HG23 :: 0.681 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 :: 121.859 Ave N Shift Values>> N :: 121.14(4.54) 2.I51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.63 I 0.23 A 0.08 G 0.03 HN Overlap>> 1.I12 1.I12 C Shift Assignments>> C :: 174.344 CA :: 57.159 CB :: 42.486 CG1 :: 26.47 CG2 :: 17.243 CD1 :: 14.049 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 :: 8.453 HA :: 5.341 HB :: 1.396 HG12 :: 1.165 HG13 :: 1.165 HG21 :: 0.651 HG22 :: 0.651 HG23 :: 0.651 HD11 :: 0.566 HD12 :: 0.566 HD13 :: 0.566 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 :: 121.369 Ave N Shift Values>> N :: 121.46(4.28) 2.G52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.84 C 0.07 L 0.04 A 0.01 C Shift Assignments>> C :: 172.221 CA :: 47.226 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.67 HA2 :: 3.974 HA3 :: 4.504 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.777 Ave N Shift Values>> N :: 109.67(3.87) 2.H53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.37 C 0.32 W 0.29 C Shift Assignments>> C :: 173.452 CA :: 55.454 CB :: 32.028 CE1 :: 138.089 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 :: 8.312 HA :: 4.966 HB2 :: 3.209 HB3 :: 3.209 HD2 :: 7.053 HE1 :: 7.821 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 118.922 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 2.A54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.91 M 0.06 C 0.01 C Shift Assignments>> C :: 175.266 CA :: 51.175 CB :: 18.872 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.582 HA :: 4.208 HB1 :: 1.148 HB2 :: 1.148 HB3 :: 1.148 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.288 Ave N Shift Values>> N :: 123.23(3.54) 2.D55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.3 D 0.27 R 0.14 K 0.08 C 0.04 N 0.04 F 0.04 G 0.02 Y 0.02 HN Overlap>> 2.V40 2.V40 C Shift Assignments>> C :: 176.863 CA :: 52.911 CB :: 42.613 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 :: 8.764 HA :: 4.725 HB2 :: 2.773 HB3 :: 2.4 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 :: 121.783 Ave N Shift Values>> N :: 120.65(3.86) 2.I56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.81 C 0.18 HN Overlap>> 1.E77 1.E77 C Shift Assignments>> C :: 176.182 CA :: 63.826 CB :: 38.309 CG1 :: 28.903 CG2 :: 16.927 CD1 :: 13.532 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 :: 8.956 HA :: 3.89 HB :: 1.813 HG12 :: 1.44 HG13 :: 1.264 HG21 :: 0.91 HG22 :: 0.91 HG23 :: 0.91 HD11 :: 0.846 HD12 :: 0.846 HD13 :: 0.846 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 :: 126.847 Ave N Shift Values>> N :: 121.46(4.28) 2.N57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.25 F 0.21 C 0.19 N 0.09 E 0.06 D 0.06 I 0.06 L 0.03 M 0.02 HN Overlap>> 1.D7 2.V4 1.D7 2.V4 C Shift Assignments>> C :: 178.232 CA :: 56.598 CB :: 38.246 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 :: 8.201 HA :: 4.447 HB2 :: 2.716 HB3 :: 3.017 HD21 :: 8.068 HD22 :: 7.113 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 :: 119.844 ND2 :: 116.05 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 2.E58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.31 E 0.3 K 0.14 Q 0.12 I 0.07 M 0.02 C Shift Assignments>> C :: 178.808 CA :: 58.443 CB :: 29.194 CG :: 35.505 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 :: 7.855 HA :: 4.234 HB2 :: 2.03 HB3 :: 2.03 HG2 :: 2.204 HG3 :: 2.204 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 :: 122.771 Ave N Shift Values>> N :: 120.67(3.48) 2.M59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.73 M 0.23 I 0.02 C Shift Assignments>> C :: 177.627 CA :: 59.998 CB :: 32.992 CG :: 30.261 CE :: 17.411 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 :: 8.158 HA :: 3.883 HB2 :: 2.375 HB3 :: 2.375 HG2 :: 2.745 HG3 :: 2.745 HE1 :: 1.893 HE2 :: 1.893 HE3 :: 1.893 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 117.741 Ave N Shift Values>> N :: 120.09(3.57) 2.R60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.17 T 0.13 V 0.12 C 0.11 S 0.08 F 0.07 Y 0.07 W 0.06 E 0.02 R 0.02 K 0.02 P 0.01 H 0.01 Q 0.01 M 0.01 C Shift Assignments>> C :: 177.055 CA :: 60.629 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 :: 8.287 HA :: 3.59 HB2 :: 1.896 HB3 :: 2.066 HG2 :: 1.431 HG3 :: 1.578 HD2 :: 3.176 HD3 :: 3.176 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 :: 118.225 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 2.R61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.13 S 0.11 I 0.1 Y 0.09 F 0.09 W 0.08 T 0.07 V 0.07 E 0.04 K 0.03 R 0.03 H 0.02 Q 0.02 M 0.01 HN Overlap>> 1.S112 1.S112 C Shift Assignments>> C :: 178.909 CA :: 59.9 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 :: 7.661 HA :: 3.939 HB2 :: 1.895 HB3 :: 2.17 HG2 :: 1.704 HG3 :: 1.522 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 :: 117.768 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 2.M62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.58 M 0.35 V 0.03 I 0.01 C Shift Assignments>> C :: 178.954 CA :: 59.183 CB :: 32.94 CE :: 17.379 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 :: 7.9 HA :: 4.024 HG2 :: 2.784 HG3 :: 2.517 HE1 :: 2.073 HE2 :: 2.073 HE3 :: 2.073 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 117.126 Ave N Shift Values>> N :: 120.09(3.57) 2.I63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.64 C 0.35 HN Overlap>> 1.V84 1.V84 C Shift Assignments>> C :: 178.195 CA :: 65.478 CB :: 38.101 CG1 :: 30.434 CG2 :: 19.893 CD1 :: 13.665 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 :: 8.306 HA :: 3.567 HB :: 1.952 HG12 :: 1.848 HG13 :: 0.889 HG21 :: 0.806 HG22 :: 0.806 HG23 :: 0.806 HD11 :: 0.645 HD12 :: 0.645 HD13 :: 0.645 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 :: 122.562 Ave N Shift Values>> N :: 121.46(4.28) 2.V64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.89 C 0.1 HN Overlap>> 2.V92 2.V92 C Shift Assignments>> C :: 181.641 CA :: 66.325 CB :: 31.347 CG1 :: 21.155 CG2 :: 22.953 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 :: 8.367 HA :: 4.094 HB :: 2.183 HG11 :: 0.987 HG12 :: 0.987 HG13 :: 0.987 HG21 :: 1.105 HG22 :: 1.105 HG23 :: 1.105 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 :: 121.133 Ave N Shift Values>> N :: 121.14(4.54) 2.E65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 K 0.27 Q 0.25 E 0.04 M 0.03 R 0.03 I 0.01 HN Overlap>> 2.F115 2.F115 C Shift Assignments>> C :: 177.83 CA :: 58.998 CB :: 29.192 CG :: 33.475 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 :: 8.343 HA :: 4.118 HB2 :: 2.136 HB3 :: 2.136 HG2 :: 2.306 HG3 :: 2.306 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 :: 122.201 Ave N Shift Values>> N :: 120.67(3.48) 2.G66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.08 C 0.02 C Shift Assignments>> C :: 173.353 CA :: 45.474 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.585 HA2 :: 4.364 HA3 :: 3.512 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.515 Ave N Shift Values>> N :: 109.67(3.87) 2.S67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.529 CA :: 59.304 CB :: 61.051 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.084 HA :: 4.083 HB2 :: 3.599 HB3 :: 3.599 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 :: 110.893 Ave N Shift Values>> N :: 116.28(3.52) 2.M68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.38 C 0.29 M 0.28 I 0.02 C Shift Assignments>> C :: 174.883 CA :: 54.488 CB :: 36.411 CE :: 17.446 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 7.146 HA :: 4.607 HB2 :: 1.902 HB3 :: 1.837 HG2 :: 2.286 HG3 :: 2.455 HE1 :: 2.003 HE2 :: 2.003 HE3 :: 2.003 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 117.725 Ave N Shift Values>> N :: 120.09(3.57) 2.R69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.48 C 0.36 K 0.1 G 0.04 HN Overlap>> 1.V96 1.V96 C Shift Assignments>> C :: 175.811 CA :: 55.978 CB :: 30.949 CG :: 27.297 CD :: 43.118 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 :: 9.319 HA :: 4.305 HB2 :: 1.644 HB3 :: 1.644 HG2 :: 1.569 HG3 :: 1.569 HD2 :: 3.181 HD3 :: 3.181 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 :: 123.801 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 2.V70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.72 V 0.27 HN Overlap>> 1.I31 1.I31 C Shift Assignments>> C :: 173.459 CA :: 59.44 CB :: 34.686 CG1 :: 21.899 CG2 :: 23.579 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 :: 8.381 HA :: 5.101 HB :: 1.887 HG11 :: 0.813 HG12 :: 0.813 HG13 :: 0.813 HG21 :: 0.809 HG22 :: 0.809 HG23 :: 0.809 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 :: 120.131 Ave N Shift Values>> N :: 121.14(4.54) 2.E71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 M 0.39 E 0.17 Q 0.03 C Shift Assignments>> C :: 174.615 CA :: 54.364 CB :: 32.663 CG :: 35.761 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 :: 8.607 HA :: 4.638 HB2 :: 1.706 HB3 :: 1.706 HG2 :: 2.172 HG3 :: 2.016 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 :: 125.618 Ave N Shift Values>> N :: 120.67(3.48) 2.Q72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.16 R 0.15 Q 0.13 W 0.13 E 0.12 C 0.11 K 0.07 M 0.07 C Shift Assignments>> C :: 174.763 CA :: 55.659 CB :: 30.175 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 :: 8.988 HA :: 4.892 HB2 :: 2.02 HB3 :: 1.763 HG2 :: 2.311 HG3 :: 2.311 HE21 :: 7.645 HE22 :: 6.788 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 :: 124.781 NE2 :: 110.24 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 2.E73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 M 0.32 E 0.26 Q 0.03 C Shift Assignments>> C :: 175.909 CA :: 55.181 CB :: 32.16 CG :: 36.034 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 :: 8.684 HA :: 4.75 HB2 :: 2.048 HB3 :: 1.981 HG2 :: 2.346 HG3 :: 2.25 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 :: 126.342 Ave N Shift Values>> N :: 120.67(3.48) 2.E74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 E 0.3 I 0.21 K 0.07 Q 0.03 C Shift Assignments>> C :: 176.544 CA :: 59.241 CB :: 28.656 CG :: 36.294 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 :: 9.087 HA :: 3.947 HB2 :: 2.014 HB3 :: 2.086 HG2 :: 2.266 HG3 :: 2.266 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 :: 122.843 Ave N Shift Values>> N :: 120.67(3.48) 2.N75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.54 C 0.12 D 0.09 Y 0.07 F 0.06 E 0.02 L 0.02 M 0.02 C Shift Assignments>> C :: 174.114 CA :: 53.326 CB :: 37.993 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 :: 8.617 HA :: 4.801 HB2 :: 2.951 HB3 :: 3.076 HD21 :: 7.518 HD22 :: 6.924 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 117.207 ND2 :: 113.286 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 2.G76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.07 C 0.03 C Shift Assignments>> C :: 171.519 CA :: 45.94 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.856 HA2 :: 4.774 HA3 :: 4.383 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.483 Ave N Shift Values>> N :: 109.67(3.87) 2.L77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.62 L 0.22 C 0.08 A 0.06 C Shift Assignments>> C :: 173.887 CA :: 52.808 CB :: 45.192 CD1 :: 25.345 CD2 :: 22.994 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 :: 9.173 HA :: 5.118 HB2 :: 1.768 HB3 :: 1.768 HG :: 1.107 HD11 :: 0.769 HD12 :: 0.769 HD13 :: 0.769 HD21 :: 0.789 HD22 :: 0.789 HD23 :: 0.789 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 :: 119.25 Ave N Shift Values>> N :: 121.86(3.9) 2.L78 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> A 0.82 C 0.15 L 0.01 C Shift Assignments>> C :: 176.181 CA :: 53.402 CB :: 41.773 CD1 :: 19.609 CD2 :: 25.621 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 :: 8.744 HA :: 4.341 HB2 :: 1.24 HB3 :: -0.285(S) HG :: 0.812 HD11 :: -0.538(S) HD12 :: -0.538(S) HD13 :: -0.538(S) HD21 :: 0.549 HD22 :: 0.549 HD23 :: 0.549 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 :: 124.086 Ave N Shift Values>> N :: 121.86(3.9) 2.V79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.62 C 0.37 C Shift Assignments>> C :: 175.684 CA :: 61.655 CB :: 32.726 CG1 :: 20.884 CG2 :: 21.013 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.799 HA :: 4.589 HB :: 1.933 HG11 :: 0.812 HG12 :: 0.812 HG13 :: 0.812 HG21 :: 0.806 HG22 :: 0.806 HG23 :: 0.806 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 :: 130.823 Ave N Shift Values>> N :: 121.14(4.54) 2.E80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 E 0.29 I 0.11 K 0.09 Q 0.08 R 0.01 HN Overlap>> 1.W100 1.W100 C Shift Assignments>> C :: 174.149 CA :: 57.405 CB :: 27.747 CG :: 36.02 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 :: 9.234 HA :: 3.559 HB2 :: 1.628 HB3 :: 1.864 HG2 :: 2.312 HG3 :: 2.37 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 :: 125.798 Ave N Shift Values>> N :: 120.67(3.48) 2.D81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.23 K 0.22 D 0.15 F 0.12 Y 0.09 R 0.07 C 0.05 N 0.01 C Shift Assignments>> C :: 175.887 CA :: 56.163 CB :: 41.832 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 :: 9.109 HA :: 3.916 HB2 :: 2.564 HB3 :: 2.915 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 112.539 Ave N Shift Values>> N :: 120.65(3.86) 2.C82 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 Q 0.06 K 0.06 V 0.06 M 0.04 I 0.02 C Shift Assignments>> C :: 173.713 CA :: 59.222 CB :: 30.761 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.314 HA :: 4.965 HB2 :: 2.955 HB3 :: 2.955 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 :: 112.094 Ave N Shift Values>> N :: 120.17(4.64) 2.V83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.64 V 0.35 C Shift Assignments>> C :: 173.608 CA :: 61.809 CB :: 35.918 CG1 :: 22.116 CG2 :: 23.321 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 :: 7.935 HA :: 4.989 HB :: 1.833 HG11 :: 0.767 HG12 :: 0.767 HG13 :: 0.767 HG21 :: 1.05 HG22 :: 1.05 HG23 :: 1.05 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 124.616 Ave N Shift Values>> N :: 121.14(4.54) 2.W84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 W 0.49 C Shift Assignments>> C :: 176.654 CA :: 57.069 CB :: 32.373 CD1 :: 126.811 CE3 :: 120.278 CZ2 :: 114.935 CZ3 :: 121.193 CH2 :: 124.32 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 :: 9.568 HA :: 5.514 HB2 :: 2.995 HB3 :: 3.204 HD1 :: 7.178 HE1 :: 10.127 HE3 :: 7.361 HZ2 :: 7.376 HZ3 :: 6.709 HH2 :: 7.063 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 :: 128.517 NE1 :: 129.436 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 2.I85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.57 C 0.42 C Shift Assignments>> C :: 175.713 CA :: 60.037 CB :: 40.342 CG1 :: 27.613 CG2 :: 17.662 CD1 :: 14.98 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 :: 9.318 HA :: 5.057 HB :: 1.615 HG12 :: 1.452 HG13 :: 1.452 HG21 :: 0.726 HG22 :: 0.726 HG23 :: 0.726 HD11 :: 0.662 HD12 :: 0.662 HD13 :: 0.662 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 120.567 Ave N Shift Values>> N :: 121.46(4.28) 2.R86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.34 C 0.32 K 0.27 G 0.05 C Shift Assignments>> C :: 175.746 CA :: 54.48 CB :: 32.575 CG :: 28.389 CD :: 43.083 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 :: 9.076 HA :: 5.148 HB2 :: 1.631 HB3 :: 1.567 HG2 :: 1.656 HG3 :: 1.656 HD2 :: 2.961 HD3 :: 2.961 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 124.604 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 2.V87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.64 C 0.35 C Shift Assignments>> C :: 175.08 CA :: 61.876 CB :: 33.321 CG1 :: 21.444 CG2 :: 21.444 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 :: 8.647 HA :: 4.676 HB :: 2.02 HG11 :: 0.93 HG12 :: 0.93 HG13 :: 0.93 HG21 :: 0.921 HG22 :: 0.921 HG23 :: 0.921 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 :: 123.289 Ave N Shift Values>> N :: 121.14(4.54) 2.S88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.127 CA :: 56.681 CB :: 65.38 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.782 HA :: 4.841 HB2 :: 3.798 HB3 :: 3.977 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 122.387 Ave N Shift Values>> N :: 116.28(3.52) 2.G89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.86 C 0.06 L 0.04 C Shift Assignments>> C :: 174.638 CA :: 47.022 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> HA2 :: 3.872 HA3 :: 3.872 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) 2.D90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.34 L 0.21 N 0.13 F 0.08 K 0.08 Y 0.06 C 0.05 C Shift Assignments>> C :: 175.721 CA :: 53.848 CB :: 41.056 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 :: 8.277 HA :: 4.74 HB2 :: 2.696 HB3 :: 2.696 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 :: 119.077 Ave N Shift Values>> N :: 120.65(3.86) 2.G91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 L 0.07 C 0.03 C Shift Assignments>> C :: 172.06 CA :: 45.776 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.66 HA2 :: 4.69 HA3 :: 4.258 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.383 Ave N Shift Values>> N :: 109.67(3.87) 2.V92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.65 V 0.34 HN Overlap>> 2.V64 2.V64 C Shift Assignments>> C :: 174.329 CA :: 60.161 CB :: 35.468 CG1 :: 20.145 CG2 :: 21.764 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 :: 8.376 HA :: 4.989 HB :: 1.804 HG11 :: 0.792 HG12 :: 0.792 HG13 :: 0.792 HG21 :: 0.819 HG22 :: 0.819 HG23 :: 0.819 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 :: 121.101 Ave N Shift Values>> N :: 121.14(4.54) 2.T93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 173.312 CA :: 61.211 CB :: 70.913 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 :: 9.112 HA :: 5.441 HB :: 3.834 HG21 :: 1.003 HG22 :: 1.003 HG23 :: 1.003 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 :: 121.928 Ave N Shift Values>> N :: 115.42(4.75) 2.I94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.62 C 0.37 C Shift Assignments>> C :: 173.623 CA :: 60.244 CB :: 39.785 CG1 :: 27.209 CG2 :: 18.057 CD1 :: 14.136 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 :: 8.811 HA :: 4.827 HB :: 1.463 HG12 :: 1.49 HG13 :: 0.587 HG21 :: 0.314 HG22 :: 0.314 HG23 :: 0.314 HD11 :: 0.376 HD12 :: 0.376 HD13 :: 0.376 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 :: 126.42 Ave N Shift Values>> N :: 121.46(4.28) 2.D95 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.7 L 0.14 R 0.05 D 0.04 C 0.02 C Shift Assignments>> C :: 177.07 CA :: 51.679 CB :: 44.386 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 :: 9.044 HA :: 6.19(S) HB2 :: 2.992 HB3 :: 2.992 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 :: 127.128 Ave N Shift Values>> N :: 120.65(3.86) 2.G96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.84 C 0.07 L 0.04 A 0.01 P 0.01 C Shift Assignments>> C :: 171.893 CA :: 47.245 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.042 HA2 :: 4.351 HA3 :: 4.957 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.564 Ave N Shift Values>> N :: 109.67(3.87) 2.R97 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 0.12 E 0.12 M 0.1 Q 0.1 K 0.08 V 0.01 C Shift Assignments>> C :: 175.947 CA :: 56.484 CB :: 30.915 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 :: 7.956 HA :: 4.343 HB2 :: 1.846 HG2 :: 1.501 HG3 :: 1.501 HD2 :: 3.291 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 :: 119.417 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 2.D98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.29 D 0.2 R 0.15 K 0.14 F 0.06 C 0.04 Y 0.04 N 0.02 G 0.01 C Shift Assignments>> C :: 177.338 CA :: 54.655 CB :: 42.46 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 :: 8.419 HA :: 4.323 HB2 :: 2.633 HB3 :: 2.633 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 :: 122.38 Ave N Shift Values>> N :: 120.65(3.86) 2.S99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.613 CA :: 58.79 CB :: 64.065 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 :: 4.429 HB2 :: 3.834 HB3 :: 3.834 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 :: 121.543 Ave N Shift Values>> N :: 116.28(3.52) 2.G100 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.V101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.42 C 0.25 P 0.14 K 0.04 W 0.03 Q 0.02 R 0.01 M 0.01 H 0.01 I 0.01 C Shift Assignments>> CA :: 61.75 CB :: 33.115 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>> HA :: 3.669 HB :: 2.145 HG11 :: 1.033 HG12 :: 1.033 HG13 :: 1.033 HG21 :: 1.033 HG22 :: 1.033 HG23 :: 1.033 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) 2.F102 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> HA :: 3.642 HB2 :: 2.984 HB3 :: 3.066 HD1 :: 6.426 HD2 :: 6.426 HE1 :: 7.252 HE2 :: 7.252 HZ :: 7.09 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) 2.Y103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> Y 0.6 C 0.39 C Shift Assignments>> C :: 178.037 CA :: 58.195 CB :: 38.214 CE1 :: 118.027 CE2 :: 118.027 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>> HA :: 4.033 HB2 :: 3.37 HB3 :: 3.37 HD1 :: 7.279 HD2 :: 7.279 HE1 :: 6.947 HE2 :: 6.947 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) 2.A104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.47 M 0.45 C 0.02 I 0.02 C Shift Assignments>> C :: 181.079 CA :: 54.893 CB :: 18.376 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.939 HA :: 4.249 HB1 :: 1.527 HB2 :: 1.527 HB3 :: 1.527 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.993 Ave N Shift Values>> N :: 123.23(3.54) 2.V105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.6 C 0.39 C Shift Assignments>> CA :: 66.498 CB :: 31.153 CG1 :: 22.173 CG2 :: 24.949 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 :: 8.645 HA :: 3.336 HB :: 1.944 HG11 :: 0.65 HG12 :: 0.65 HG13 :: 0.65 HG21 :: 0.887 HG22 :: 0.887 HG23 :: 0.887 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 :: 119.009 Ave N Shift Values>> N :: 121.14(4.54) 2.R106 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> V 0.4 P 0.22 C 0.22 W 0.04 K 0.02 R 0.01 H 0.01 M 0.01 E 0.01 C Shift Assignments>> C :: 176.596 CA :: 62.029 CB :: 32.646 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 :: 8.373 HA :: 3.264 HB2 :: 0.923 HB3 :: 1.843 HG2 :: 0.564(S) HG3 :: 0.564(S) HD2 :: 2.676 HD3 :: 3.265 HE :: 7.392 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>> NE :: 83.691 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 2.D107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.27 Y 0.24 C 0.11 L 0.11 D 0.09 K 0.06 I 0.06 N 0.01 C Shift Assignments>> C :: 178.721 CA :: 57.693 CB :: 40.518 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 :: 7.816 HA :: 4.322 HB2 :: 2.82 HB3 :: 2.663 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 :: 117.208 Ave N Shift Values>> N :: 120.65(3.86) 2.V108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.92 C 0.07 C Shift Assignments>> C :: 178.66 CA :: 67.09 CB :: 30.967 CG1 :: 22.127 CG2 :: 22.522 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 :: 7.155 HA :: 3.561 HB :: 2.393 HG11 :: 0.943 HG12 :: 0.943 HG13 :: 0.943 HG21 :: 0.974 HG22 :: 0.974 HG23 :: 0.974 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 :: 118.833 Ave N Shift Values>> N :: 121.14(4.54) 2.V109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.9 C 0.09 C Shift Assignments>> C :: 179.789 CA :: 66.957 CB :: 30.659 CG1 :: 22.474 CG2 :: 22.404 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 :: 7.93 HA :: 3.467 HB :: 2.035 HG11 :: 0.843 HG12 :: 0.843 HG13 :: 0.843 HG21 :: 0.873 HG22 :: 0.873 HG23 :: 0.873 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 122.234 Ave N Shift Values>> N :: 121.14(4.54) 2.Y110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.64 Y 0.29 H 0.04 W 0.01 C Shift Assignments>> C :: 177.945 CA :: 57.074 CB :: 35.641 CE1 :: 117.862 CE2 :: 117.862 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 :: 9.126 HA :: 4.539 HB2 :: 3.288 HB3 :: 3.288 HD1 :: 6.937 HD2 :: 6.937 HE1 :: 6.679 HE2 :: 6.679 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 121.128 Ave N Shift Values>> N :: 120.52(4.2) 2.R111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 R 0.35 G 0.15 K 0.02 HN Overlap>> 1.F72 1.F72 C Shift Assignments>> C :: 177.726 CA :: 58.278 CB :: 30.8 CG :: 28.101 CD :: 44.041 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 :: 7.979 HA :: 4.503 HB2 :: 2.052 HB3 :: 2.052 HG2 :: 1.856 HG3 :: 1.856 HD2 :: 3.246 HD3 :: 3.246 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 :: 118.472 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 2.S112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 171.782 CA :: 58.278 CB :: 63.769 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.691 HA :: 4.584 HB2 :: 3.981 HB3 :: 4.149 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 114.359 Ave N Shift Values>> N :: 116.28(3.52) 2.S113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.61 T 0.38 C Shift Assignments>> C :: 171.05 CA :: 57.086 CB :: 67.098 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.53 HA :: 5.14 HB2 :: 3.413 HB3 :: 3.571 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 :: 113.833 Ave N Shift Values>> N :: 116.28(3.52) 2.A114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.73 L 0.17 C 0.07 C Shift Assignments>> C :: 174.805 CA :: 51.333 CB :: 21.734 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.853 HA :: 4.582 HB1 :: 0.963 HB2 :: 0.963 HB3 :: 0.963 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 118.743 Ave N Shift Values>> N :: 123.23(3.54) 2.F115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.23 C 0.22 F 0.17 E 0.13 I 0.06 N 0.06 M 0.03 D 0.03 L 0.01 HN Overlap>> 2.E65 2.E65 C Shift Assignments>> C :: 175.743 CA :: 56.832 CB :: 37.747 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 :: 8.298 HA :: 4.882 HB2 :: 2.916 HB3 :: 3.141 HD1 :: 7.143 HD2 :: 7.143 HE1 :: 6.841 HE2 :: 6.841 HZ :: 6.821 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 :: 122.284 Ave N Shift Values>> N :: 120.45(4.18) 2.I116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.75 C 0.24 HN Overlap>> 1.V90 1.V90 C Shift Assignments>> C :: 180.475 CA :: 62.399 CB :: 39.439 CG1 :: 26.782 CG2 :: 18.584 CD1 :: 14.597 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 :: 8.587 HA :: 4.43 HB :: 2.238 HG12 :: 0.972 HG13 :: 1.354 HG21 :: 0.671 HG22 :: 0.671 HG23 :: 0.671 HD11 :: 0.703 HD12 :: 0.703 HD13 :: 0.703 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 :: 124.171 Ave N Shift Values>> N :: 121.46(4.28) ########################################################################### Overall Results: #Consistent: 226 #Clerical: 0 #Suspicious: 8 #Anomalous: 1 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 228 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 7 Shift Relative Order (SRO) Results: #Consistent: 235 #Suspicious: 0 C Shift Results: #Consistent: 889 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent:1554 #Duplicate: 0 #Unknown: 0 #Suspicious: 17 #Anomalous: 1 N Shift Results: #Consistent: 230 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.K6 HB2 = 2.675(S), Expected = 1.78, Std = 0.2500, ChiSquare = 3.4359e-04 1.K6 HB3 = 2.675(S), Expected = 1.74, Std = 0.2700, ChiSquare = 5.3426e-04 1.E51 HB2 = -0.104(A), Expected = 2.02, Std = 0.2100, ChiSquare = 4.7749e-24 1.E51 HB3 = 0.837(S), Expected = 1.99, Std = 0.2300, ChiSquare = 5.3576e-07 1.E51 HG2 = 1.515(S), Expected = 2.27, Std = 0.2100, ChiSquare = 3.2410e-04 1.S59 H = 5.793(S), Expected = 8.28, Std = 0.5900, ChiSquare = 2.4950e-05 1.E99 HA = 5.902(S), Expected = 4.25, Std = 0.4100, ChiSquare = 5.5951e-05 1.A110 HB1 = 0.278(S), Expected = 1.35, Std = 0.2600, ChiSquare = 3.7384e-05 1.A110 HB2 = 0.278(S), Expected = 1.35, Std = 0.2600, ChiSquare = 3.7384e-05 1.A110 HB3 = 0.278(S), Expected = 1.35, Std = 0.2600, ChiSquare = 3.7384e-05 2.G33 HA2 = 5.237(S), Expected = 3.97, Std = 0.3700, ChiSquare = 6.1633e-04 2.L78 HB3 = -0.285(S), Expected = 1.52, Std = 0.3600, ChiSquare = 5.3341e-07 2.L78 HD11 = -0.538(S), Expected = 0.75, Std = 0.2800, ChiSquare = 4.2249e-06 2.L78 HD12 = -0.538(S), Expected = 0.75, Std = 0.2800, ChiSquare = 4.2249e-06 2.L78 HD13 = -0.538(S), Expected = 0.75, Std = 0.2800, ChiSquare = 4.2249e-06 2.D95 HA = 6.19(S), Expected = 4.59, Std = 0.3200, ChiSquare = 5.7330e-07 2.R106 HG2 = 0.564(S), Expected = 1.57, Std = 0.2700, ChiSquare = 1.9460e-04 2.R106 HG3 = 0.564(S), Expected = 1.54, Std = 0.2900, ChiSquare = 7.6400e-04