Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> M 0.43 I 0.39 A 0.15 C Shift Assignments>> CE :: 17.227 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>> HE1 :: 2.111 HE2 :: 2.111 HE3 :: 2.111 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) 1.A2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> A 0.91 M 0.06 C 0.01 C Shift Assignments>> CA :: 51.799 CB :: 19.314 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> HA :: 4.001 HB1 :: 1.296 HB2 :: 1.296 HB3 :: 1.296 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) 1.S3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 173.891 CA :: 58.363 CB :: 63.773 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> HA :: 4.42 HB2 :: 3.779 HB3 :: 3.779 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) 1.W4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.54 C 0.45 C Shift Assignments>> C :: 175.941 CA :: 57.005 CB :: 29.751 CD1 :: 127.125 CE3 :: 120.905 CZ2 :: 114.456 CZ3 :: 121.907 CH2 :: 124.533 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 8.11 HA :: 4.69 HB2 :: 3.214 HB3 :: 3.245 HD1 :: 7.196 HE1 :: 10.144 HE3 :: 7.534 HZ2 :: 7.42 HZ3 :: 7.05 HH2 :: 7.151 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 :: 122.436 NE1 :: 129.626 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.S5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.303 CA :: 58.231 CB :: 63.768 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.013 HA :: 4.306 HB2 :: 3.61 HB3 :: 3.647 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 :: 117.323 Ave N Shift Values>> N :: 116.28(3.52) 1.H6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.42 W 0.36 C 0.21 HN Overlap>> 1.R26 1.R26 C Shift Assignments>> CA :: 54.409 CB :: 30.136 CD2 :: 120.053 CE1 :: 137.595 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 :: 8.075 HA :: 4.722 HB2 :: 2.955 HB3 :: 3.034 HD2 :: 7.057 HE1 :: 8.014 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 121.943 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.P7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.78 C 0.21 C Shift Assignments>> C :: 176.913 CA :: 63.621 CB :: 32.107 CG :: 27.411 CD :: 50.694 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 :: 4.309 HB2 :: 2.187 HB3 :: 1.744 HG2 :: 1.911 HG3 :: 1.911 HD2 :: 3.367 HD3 :: 3.656 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.Q8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.3 K 0.28 C 0.24 E 0.06 M 0.06 R 0.03 C Shift Assignments>> C :: 175.762 CA :: 56.198 CB :: 29.271 CG :: 33.73 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 :: 8.76 HA :: 4.225 HB2 :: 1.865 HB3 :: 1.922 HG2 :: 2.124 HG3 :: 2.171 HE21 :: 7.399 HE22 :: 6.805 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 120.308 NE2 :: 112.217 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.F9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.67 C 0.32 HN Overlap>> 1.R15 1.R15 C Shift Assignments>> C :: 175.494 CA :: 57.514 CB :: 39.516 CD1 :: 131.751 CD2 :: 131.751 CE1 :: 131.311 CE2 :: 131.311 CZ :: 129.734 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 :: 8.108 HA :: 4.634 HB2 :: 2.954 HB3 :: 3.164 HD1 :: 7.185 HD2 :: 7.185 HE1 :: 7.252 HE2 :: 7.252 HZ :: 7.198 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 119.981 Ave N Shift Values>> N :: 120.45(4.18) 1.E10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.4 C 0.34 M 0.12 Q 0.05 K 0.04 I 0.02 C Shift Assignments>> C :: 175.928 CA :: 56.791 CB :: 30.522 CG :: 36.242 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 :: 8.311 HA :: 4.204 HB2 :: 1.886 HB3 :: 1.995 HG2 :: 2.194 HG3 :: 2.194 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 :: 121.769 Ave N Shift Values>> N :: 120.67(3.48) 1.K11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.47 C 0.39 R 0.12 C Shift Assignments>> C :: 176.258 CA :: 56.318 CB :: 32.955 CG :: 24.685 CD :: 29.078 CE :: 42.144 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 :: 8.223 HA :: 4.297 HB2 :: 1.726 HB3 :: 1.818 HG2 :: 1.339 HG3 :: 1.389 HD2 :: 1.654 HD3 :: 1.654 HE2 :: 2.954 HE3 :: 2.954 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 :: 121.469 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>> I 0.67 C 0.32 C Shift Assignments>> C :: 176.001 CA :: 61.282 CB :: 38.874 CG1 :: 27.66 CG2 :: 17.501 CD1 :: 13.075 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 :: 8.16 HA :: 4.13 HB :: 1.766 HG12 :: 1.091 HG13 :: 1.386 HG21 :: 0.795 HG22 :: 0.795 HG23 :: 0.795 HD11 :: 0.77 HD12 :: 0.77 HD13 :: 0.77 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 :: 122.793 Ave N Shift Values>> N :: 121.46(4.28) 1.E13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.4 C 0.34 K 0.08 M 0.06 Q 0.06 I 0.04 C Shift Assignments>> C :: 176.818 CA :: 57.038 CB :: 29.97 CG :: 36.234 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 :: 8.517 HA :: 4.236 HB2 :: 1.904 HB3 :: 1.98 HG2 :: 2.212 HG3 :: 2.212 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 124.596 Ave N Shift Values>> N :: 120.67(3.48) 1.G14 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 :: 173.879 CA :: 45.378 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.443 HA2 :: 3.935 HA3 :: 3.935 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.384 Ave N Shift Values>> N :: 109.67(3.87) 1.R15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.44 C 0.37 K 0.12 G 0.05 HN Overlap>> 1.F9 1.F9 C Shift Assignments>> C :: 176.062 CA :: 56.247 CB :: 31.505 CG :: 27.558 CD :: 43.29 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 :: 8.194 HA :: 4.386 HB2 :: 1.76 HB3 :: 1.817 HG2 :: 1.575 HG3 :: 1.548 HD2 :: 3.132 HD3 :: 3.132 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 :: 120.036 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.M16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.42 C 0.36 A 0.2 C Shift Assignments>> C :: 173.856 CA :: 55.65 CB :: 34.424 CG :: 32.841 CE :: 18.265 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 :: 8.254 HA :: 4.681 HB2 :: 1.913 HB3 :: 1.967 HG2 :: 2.419 HG3 :: 2.477 HE1 :: 2.103 HE2 :: 2.103 HE3 :: 2.103 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 120.588 Ave N Shift Values>> N :: 120.09(3.57) 1.D17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.56 L 0.22 R 0.08 D 0.06 C 0.03 F 0.01 HN Overlap>> 1.Q41 1.Q41 C Shift Assignments>> C :: 175.412 CA :: 52.384 CB :: 44.326 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 :: 8.161 HA :: 5.134 HB2 :: 2.436 HB3 :: 2.634 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 :: 119.513 Ave N Shift Values>> N :: 120.65(3.86) 1.V18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.85 C 0.14 C Shift Assignments>> C :: 177.1 CA :: 64.786 CB :: 31.509 CG1 :: 21.37 CG2 :: 22.077 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 :: 8.754 HA :: 3.266 HB :: 1.885 HG11 :: 0.832 HG12 :: 0.832 HG13 :: 0.832 HG21 :: 0.832 HG22 :: 0.832 HG23 :: 0.832 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 :: 119.91 Ave N Shift Values>> N :: 121.14(4.54) 1.G19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.51 L 0.24 R 0.12 C 0.04 F 0.03 D 0.02 C Shift Assignments>> C :: 174.896 CA :: 44.494 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.946 HA2 :: 3.594 HA3 :: 4.49 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 115.523 Ave N Shift Values>> N :: 109.67(3.87) 1.Q20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.3 C 0.28 Q 0.16 M 0.13 K 0.09 I 0.01 C Shift Assignments>> C :: 175.167 CA :: 56.845 CB :: 30.403 CG :: 35.294 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 :: 7.723 HA :: 4.326 HB2 :: 2.108 HB3 :: 2.337 HG2 :: 2.453 HG3 :: 2.421 HE21 :: 6.847 HE22 :: 7.755 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 119.83 NE2 :: 112.204 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.K21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.52 C 0.36 R 0.11 C Shift Assignments>> C :: 176.711 CA :: 55.452 CB :: 33.281 CG :: 25.174 CD :: 29.102 CE :: 41.948 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 :: 8.745 HA :: 5.085 HB2 :: 1.507 HB3 :: 1.722 HG2 :: 1.256 HG3 :: 1.527 HD2 :: 1.534 HD3 :: 1.534 HE2 :: 2.879 HE3 :: 2.879 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 122.615 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.86 A 0.07 V 0.04 I 0.01 HN Overlap>> 1.G57 1.G57 C Shift Assignments>> C :: 172.77 CA :: 57.676 CB :: 36.314 CG1 :: 22.893 CG2 :: 18.978 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 :: 8.811 HA :: 5.344 HB :: 1.772 HG11 :: 0.752 HG12 :: 0.752 HG13 :: 0.752 HG21 :: 0.449 HG22 :: 0.449 HG23 :: 0.449 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 :: 113.351 Ave N Shift Values>> N :: 121.14(4.54) 1.R23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 R 0.28 G 0.18 K 0.11 C Shift Assignments>> C :: 176.287 CA :: 53.136 CB :: 34.138 CG :: 27.445 CD :: 43.284 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 :: 9.114 HA :: 5.166 HB2 :: 1.433 HB3 :: 1.671 HG2 :: 1.178 HG3 :: 1.178 HD2 :: 3.103 HD3 :: 3.066 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 :: 120.766 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.V24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.68 C 0.31 C Shift Assignments>> C :: 176.341 CA :: 63.174 CB :: 30.452 CG1 :: 21.695 CG2 :: 20.229 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 :: 8.219 HA :: 3.905 HB :: 2.311 HG11 :: 0.573 HG12 :: 0.573 HG13 :: 0.573 HG21 :: 0.337 HG22 :: 0.337 HG23 :: 0.337 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 :: 126.339 Ave N Shift Values>> N :: 121.14(4.54) 1.C25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.16 C 0.16 E 0.14 R 0.12 H 0.12 Q 0.1 K 0.07 M 0.04 I 0.02 V 0.02 C Shift Assignments>> C :: 173.817 CA :: 58.459 CB :: 30.189 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.984 HA :: 4.71 HB2 :: 2.595 HB3 :: 2.906 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 :: 127.559 Ave N Shift Values>> N :: 120.17(4.64) 1.R26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.46 C 0.38 K 0.09 G 0.06 HN Overlap>> 1.H6 1.H6 C Shift Assignments>> C :: 171.933 CA :: 55.679 CB :: 32.331 CG :: 26.866 CD :: 43.252 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 :: 8.131 HA :: 4.434 HB2 :: 1.762 HB3 :: 1.97 HG2 :: 1.415 HG3 :: 1.571 HD2 :: 3.154 HD3 :: 3.154 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 121.997 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.I27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.6 C 0.38 C Shift Assignments>> C :: 177.179 CA :: 59.045 CB :: 39.43 CG2 :: 18.366 CD1 :: 12.688 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 :: 8.08 HA :: 4.752 HB :: 1.851 HG12 :: 1.255 HG13 :: 1.405 HG21 :: 1.001 HG22 :: 1.001 HG23 :: 1.001 HD11 :: 0.835 HD12 :: 0.835 HD13 :: 0.835 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 116.719 Ave N Shift Values>> N :: 121.46(4.28) 1.R28 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.46 R 0.28 G 0.24 C Shift Assignments>> C :: 175.927 CA :: 56.885 CB :: 32.35 CG :: 26.735 CD :: 44.397 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 :: 10.669(S) 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 :: 128.544 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.D29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.38 F 0.22 L 0.2 C 0.13 K 0.02 I 0.01 C Shift Assignments>> C :: 174.862 CA :: 55.042 CB :: 39.984 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 :: 8.348 HA :: 4.534 HB2 :: 2.74 HB3 :: 2.74 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 :: 117.1 Ave N Shift Values>> N :: 120.65(3.86) 1.R30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 R 0.38 G 0.19 K 0.03 C Shift Assignments>> C :: 174.78 CA :: 55.066 CB :: 31.822 CD :: 43.999 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 :: 7.814 HA :: 4.587 HB2 :: 1.722 HB3 :: 1.821 HG2 :: 1.554 HG3 :: 1.581 HD2 :: 3.085 HD3 :: 3.046 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 :: 120.5 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.V31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.66 C 0.33 C Shift Assignments>> C :: 176.178 CA :: 62.395 CB :: 32.51 CG1 :: 21.173 CG2 :: 19.957 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 :: 8.196 HA :: 4.136 HB :: 2.141 HG11 :: 0.895 HG12 :: 0.895 HG13 :: 0.895 HG21 :: 0.905 HG22 :: 0.905 HG23 :: 0.905 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 :: 116.457 Ave N Shift Values>> N :: 121.14(4.54) 1.A32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.9 M 0.04 C 0.02 L 0.01 C Shift Assignments>> C :: 177.542 CA :: 52.292 CB :: 19.974 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.877 HA :: 4.353 HB1 :: 1.385 HB2 :: 1.385 HB3 :: 1.385 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.769 Ave N Shift Values>> N :: 123.23(3.54) 1.Q33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 K 0.27 Q 0.27 E 0.05 R 0.05 M 0.03 I 0.01 HN Overlap>> 1.T61 1.T61 C Shift Assignments>> C :: 176.625 CA :: 58.215 CB :: 28.893 CG :: 33.705 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 :: 8.605 HA :: 4.035 HB2 :: 2.058 HB3 :: 2.058 HG2 :: 2.38 HG3 :: 2.38 HE21 :: 6.836 HE22 :: 7.542 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 121.334 NE2 :: 112.337 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.D34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 F 0.28 L 0.19 C 0.14 I 0.03 K 0.02 C Shift Assignments>> C :: 176.911 CA :: 55.814 CB :: 39.943 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 :: 4.393 HB2 :: 2.593 HB3 :: 2.638 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 :: 116.864 Ave N Shift Values>> N :: 120.65(3.86) 1.I35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.78 C 0.21 C Shift Assignments>> C :: 177.163 CA :: 62.88 CB :: 38.052 CG1 :: 27.202 CG2 :: 18.031 CD1 :: 13.191 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 :: 7.421 HA :: 4.023 HB :: 1.871 HG12 :: 1.142 HG13 :: 1.316 HG21 :: 0.723 HG22 :: 0.723 HG23 :: 0.723 HD11 :: 0.612 HD12 :: 0.612 HD13 :: 0.612 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 116.99 Ave N Shift Values>> N :: 121.46(4.28) 1.I36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.8 C 0.19 C Shift Assignments>> C :: 178.395 CA :: 63.604 CB :: 37.661 CG1 :: 28.682 CG2 :: 17.771 CD1 :: 13.047 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 :: 7.76 HA :: 3.785 HB :: 1.863 HG12 :: 1.259 HG13 :: 1.455 HG21 :: 0.895 HG22 :: 0.895 HG23 :: 0.895 HD11 :: 0.826 HD12 :: 0.826 HD13 :: 0.826 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 :: 120.297 Ave N Shift Values>> N :: 121.46(4.28) 1.Q37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 Q 0.27 K 0.22 E 0.08 R 0.07 I 0.02 M 0.01 C Shift Assignments>> C :: 176.707 CA :: 57.578 CB :: 28.099 CG :: 34.194 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 :: 8.015 HA :: 4.085 HB2 :: 1.99 HB3 :: 2.068 HG2 :: 2.375 HG3 :: 2.375 HE21 :: 6.826 HE22 :: 7.434 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 118.298 NE2 :: 111.438 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.K38 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.35 R 0.32 C 0.3 C Shift Assignments>> C :: 176.113 CA :: 54.586 CB :: 31.983 CG :: 24.464 CD :: 27.442 CE :: 42.079 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 :: 7.728 HA :: 3.899 HB2 :: 1.593 HB3 :: 1.881 HG2 :: 0.916 HG3 :: 1.236 HD2 :: 0.185(S) HD3 :: 0.884 HE2 :: 2.441 HE3 :: 2.491 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 :: 115.698 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.57 C 0.4 R 0.02 C Shift Assignments>> C :: 177.845 CA :: 57.681 CB :: 41.772 CG :: 26.937 CD1 :: 24.1 CD2 :: 24.977 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 :: 7.243 HA :: 3.617 HB2 :: 1.546 HB3 :: 1.663 HG :: 1.536 HD11 :: 0.804 HD12 :: 0.804 HD13 :: 0.804 HD21 :: 0.816 HD22 :: 0.816 HD23 :: 0.816 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 :: 119.954 Ave N Shift Values>> N :: 121.86(3.9) 1.G40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.85 L 0.09 C 0.02 R 0.01 C Shift Assignments>> C :: 174.177 CA :: 45.329 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.964 HA2 :: 3.574 HA3 :: 4.277 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 114.461 Ave N Shift Values>> N :: 109.67(3.87) 1.Q41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.26 C 0.23 E 0.2 K 0.17 M 0.1 HN Overlap>> 1.D17 1.D17 C Shift Assignments>> C :: 174.705 CA :: 55.898 CB :: 29.868 CG :: 34.76 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 :: 8.25 HA :: 4.408 HB2 :: 2.084 HB3 :: 2.173 HE21 :: 7.28 HE22 :: 6.837 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 119.554 NE2 :: 113.284 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.V42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.55 C 0.44 C Shift Assignments>> C :: 176.581 CA :: 60.636 CB :: 33.387 CG1 :: 21.322 CG2 :: 21.488 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 :: 8.545 HA :: 5.213 HB :: 1.916 HG11 :: 0.829 HG12 :: 0.829 HG13 :: 0.829 HG21 :: 0.905 HG22 :: 0.905 HG23 :: 0.905 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 :: 120.099 Ave N Shift Values>> N :: 121.14(4.54) 1.G43 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.37 L 0.28 R 0.2 C 0.04 F 0.03 D 0.03 C Shift Assignments>> C :: 170.761 CA :: 44.225 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.87 HA2 :: 2.737(S) HA3 :: 4.53 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 114.736 Ave N Shift Values>> N :: 109.67(3.87) 1.Q44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.53 C 0.31 Q 0.11 E 0.03 C Shift Assignments>> C :: 175.538 CA :: 53.579 CB :: 32.651 CG :: 34.147 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 :: 8.23 HA :: 5.096 HB2 :: 1.707 HB3 :: 1.797 HG2 :: 2.013 HG3 :: 2.013 HE21 :: 6.829 HE22 :: 7.504 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 118.227 NE2 :: 111.697 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.I45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.77 C 0.22 C Shift Assignments>> C :: 178.195 CA :: 63.074 CB :: 37.478 CG1 :: 28.188 CG2 :: 17.584 CD1 :: 14.342 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 :: 8.966 HA :: 4.358 HB :: 1.954 HG12 :: 0.63 HG13 :: 1.74 HG21 :: 0.575 HG22 :: 0.575 HG23 :: 0.575 HD11 :: 0.863 HD12 :: 0.863 HD13 :: 0.863 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 :: 124.904 Ave N Shift Values>> N :: 121.46(4.28) 1.T46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.86 C 0.13 C Shift Assignments>> C :: 174.381 CA :: 61.358 CB :: 69.195 CG2 :: 22.004 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 :: 9.275 HA :: 4.493 HB :: 4.292 HG21 :: 1.094 HG22 :: 1.094 HG23 :: 1.094 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 120.529 Ave N Shift Values>> N :: 115.42(4.75) 1.G47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 L 0.12 C 0.03 R 0.02 F 0.01 C Shift Assignments>> C :: 169.217 CA :: 45.134 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.482 HA2 :: 3.695 HA3 :: 4.011 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.349 Ave N Shift Values>> N :: 109.67(3.87) 1.F48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.76 C 0.18 G 0.05 C Shift Assignments>> C :: 174.514 CA :: 56.903 CB :: 42.859 CD1 :: 131.999 CD2 :: 131.999 CE1 :: 130.982 CE2 :: 130.982 CZ :: 129.734 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 :: 8.447 HA :: 5.35 HB2 :: 2.566 HB3 :: 3.048 HD1 :: 7.194 HD2 :: 7.194 HE1 :: 7.248 HE2 :: 7.248 HZ :: 7.198 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 116.513 Ave N Shift Values>> N :: 120.45(4.18) 1.K49 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.58 K 0.34 A 0.06 C Shift Assignments>> C :: 174.616 CA :: 54.612 CB :: 35.672 CG :: 23.288 CD :: 28.608 CE :: 41.327 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 :: 8.746 HA :: 4.534 HB2 :: 1.357 HB3 :: 1.396 HG2 :: 0.773 HG3 :: 0.821 HD2 :: 0.826(S) HD3 :: 1.08 HE2 :: 2.098(S) HE3 :: 2.157(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 :: 121.226 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.M50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.51 C 0.32 A 0.16 C Shift Assignments>> C :: 176.264 CA :: 55.108 CB :: 32.35 CG :: 32.179 CE :: 16.905 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 :: 8.709 HA :: 4.769 HB2 :: 1.926 HB3 :: 2.008 HG2 :: 2.5 HG3 :: 2.58 HE1 :: 1.982 HE2 :: 1.982 HE3 :: 1.982 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 :: 124.748 Ave N Shift Values>> N :: 120.09(3.57) 1.T51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.88 C 0.11 C Shift Assignments>> C :: 174.188 CA :: 61.008 CB :: 70.383 CG2 :: 20.948 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 :: 8.3 HA :: 4.295 HB :: 4.069 HG21 :: 0.747 HG22 :: 0.747 HG23 :: 0.747 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 :: 116.748 Ave N Shift Values>> N :: 115.42(4.75) 1.D52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.41 L 0.23 F 0.18 C 0.1 K 0.04 I 0.01 C Shift Assignments>> C :: 176.914 CA :: 54.722 CB :: 40.383 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 :: 8.614 HA :: 4.546 HB2 :: 2.724 HB3 :: 2.724 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 :: 122.524 Ave N Shift Values>> N :: 120.65(3.86) 1.G53 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 :: 174.754 CA :: 45.751 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.44 HA2 :: 3.883 HA3 :: 4.149 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.115 Ave N Shift Values>> N :: 109.67(3.87) 1.S54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.191 CA :: 58.511 CB :: 64.135 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.103 HA :: 4.592 HB2 :: 3.921 HB3 :: 3.87 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 :: 115.162 Ave N Shift Values>> N :: 116.28(3.52) 1.G55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.7 L 0.17 R 0.05 C 0.03 F 0.01 D 0.01 C Shift Assignments>> C :: 173.509 CA :: 44.865 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.116 HA2 :: 4.082 HA3 :: 4.164 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.817 Ave N Shift Values>> N :: 109.67(3.87) 1.V56 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 :: 175.587 CA :: 62.881 CB :: 33.37 CG1 :: 21.645 CG2 :: 21.645 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 :: 8.679 HA :: 4.362 HB :: 2.086 HG11 :: 0.951 HG12 :: 0.951 HG13 :: 0.951 HG21 :: 0.951 HG22 :: 0.951 HG23 :: 0.951 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 :: 121.844 Ave N Shift Values>> N :: 121.14(4.54) 1.G57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.34 L 0.29 R 0.22 C 0.04 F 0.04 D 0.03 HN Overlap>> 1.V22 1.V22 C Shift Assignments>> C :: 172.557 CA :: 44.167 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.758 HA2 :: 3.312 HA3 :: 4.789 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 113.276 Ave N Shift Values>> N :: 109.67(3.87) 1.V58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 V 0.42 C Shift Assignments>> C :: 174.647 CA :: 60.409 CB :: 34.145 CG1 :: 22.741 CG2 :: 19.782 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 :: 9.769 HA :: 4.614 HB :: 2.05 HG11 :: 0.894 HG12 :: 0.894 HG13 :: 0.894 HG21 :: 0.946 HG22 :: 0.946 HG23 :: 0.946 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 :: 119.465 Ave N Shift Values>> N :: 121.14(4.54) 1.I59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.68 C 0.31 C Shift Assignments>> C :: 174.556 CA :: 61.552 CB :: 37.592 CG1 :: 27.91 CG2 :: 17.493 CD1 :: 13.381 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 :: 8.478 HA :: 4.189 HB :: 1.168 HG12 :: 0.712 HG13 :: 0.712 HG21 :: 0.589 HG22 :: 0.589 HG23 :: 0.589 HD11 :: 0.588 HD12 :: 0.588 HD13 :: 0.588 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 :: 125.683 Ave N Shift Values>> N :: 121.46(4.28) 1.V60 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.56 V 0.43 C Shift Assignments>> C :: 174.306 CA :: 60.49 CB :: 34.367 CG1 :: 21.791 CG2 :: 23.152 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 :: 8.728 HA :: 4.454 HB :: 1.781 HG11 :: -0.208(S) HG12 :: -0.208(S) HG13 :: -0.208(S) HG21 :: 0.709 HG22 :: 0.709 HG23 :: 0.709 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 128.761 Ave N Shift Values>> N :: 121.14(4.54) 1.T61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.89 C 0.1 HN Overlap>> 1.Q33 1.Q33 C Shift Assignments>> C :: 174.894 CA :: 61.117 CB :: 69.873 CG2 :: 20.986 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 :: 8.713 HA :: 5.126 HB :: 3.768 HG21 :: 1.194 HG22 :: 1.194 HG23 :: 1.194 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 :: 121.347 Ave N Shift Values>> N :: 115.42(4.75) 1.F62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.69 C 0.3 C Shift Assignments>> C :: 177.325 CA :: 58.688 CB :: 40.656 CD1 :: 132.665 CD2 :: 132.665 CE1 :: 130.216 CE2 :: 130.216 CZ :: 129.07 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 :: 8.986 HA :: 4.671 HB2 :: 3 HB3 :: 3.563 HD1 :: 7.323 HD2 :: 7.323 HE1 :: 7.04 HE2 :: 7.04 HZ :: 6.946 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 :: 127.72 Ave N Shift Values>> N :: 120.45(4.18) 1.D63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.38 C 0.16 L 0.15 D 0.15 I 0.08 K 0.05 C Shift Assignments>> C :: 176.559 CA :: 57.412 CB :: 40.226 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 :: 9.745 HA :: 4.446 HB2 :: 2.797 HB3 :: 2.816 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 :: 122.571 Ave N Shift Values>> N :: 120.65(3.86) 1.D64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.48 F 0.17 C 0.16 L 0.16 C Shift Assignments>> C :: 176.633 CA :: 53.463 CB :: 39.392 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 :: 7.875 HA :: 4.501 HB2 :: 2.622 HB3 :: 3.093 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 :: 117.272 Ave N Shift Values>> N :: 120.65(3.86) 1.R65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 R 0.19 L 0.17 K 0.06 G 0.06 C Shift Assignments>> C :: 175.545 CA :: 58.477 CB :: 27.034 CG :: 27.872 CD :: 43.188 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 :: 8.39 HA :: 3.772 HB2 :: 2.08 HB3 :: 2.354 HG2 :: 1.605 HG3 :: 1.646 HD2 :: 3.191 HD3 :: 3.21 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 :: 111.986 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.S66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.947 CA :: 58.793 CB :: 64.896 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.489 HA :: 4.529 HB2 :: 3.878 HB3 :: 4.009 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 :: 118.235 Ave N Shift Values>> N :: 116.28(3.52) 1.S67 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> S 0.89 T 0.1 C Shift Assignments>> C :: 174.273 CA :: 57.091 CB :: 66.437 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.409 HA :: 5.987(S) HB2 :: 3.57 HB3 :: 3.648 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 :: 113.142 Ave N Shift Values>> N :: 116.28(3.52) 1.T68 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 :: 170.878 CA :: 61.147 CB :: 69.918 CG2 :: 20.792 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 :: 8.694 HA :: 4.472 HB :: 4.149 HG21 :: 0.741 HG22 :: 0.741 HG23 :: 0.741 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 :: 118.154 Ave N Shift Values>> N :: 115.42(4.75) 1.W69 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> W 0.62 C 0.37 C Shift Assignments>> C :: 173.704 CA :: 53.749 CB :: 31.896 CD1 :: 125.809 CE3 :: 119.611 CZ2 :: 113.891 CZ3 :: 122.083 CH2 :: 124.933 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 7.581 HA :: 5.776 HB2 :: 2.723 HB3 :: 2.845 HD1 :: 6.996 HE1 :: 9.8 HE3 :: 6.757 HZ2 :: 7.263 HZ3 :: 5.425(S) HH2 :: 6.781 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 119.867 NE1 :: 128.238 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.F70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.59 G 0.26 C 0.14 C Shift Assignments>> C :: 175.91 CA :: 57.359 CB :: 43.929 CD1 :: 131.999 CD2 :: 131.999 CE1 :: 130.793 CE2 :: 130.793 CZ :: 128.399 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 :: 9.128 HA :: 4.249 HB2 :: 2.282 HB3 :: 3.777 HD1 :: 7.179 HD2 :: 7.179 HE1 :: 7.02 HE2 :: 7.02 HZ :: 6.815 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 :: 118.304 Ave N Shift Values>> N :: 120.45(4.18) 1.F71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.73 C 0.26 C Shift Assignments>> C :: 178.784 CA :: 59.048 CB :: 41.266 CD1 :: 131.683 CD2 :: 131.683 CE1 :: 131.934 CE2 :: 131.934 CZ :: 129.837 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 :: 9.775 HA :: 5.033 HB2 :: 2.806 HB3 :: 3.59 HD1 :: 7.432 HD2 :: 7.432 HE1 :: 7.443 HE2 :: 7.443 HZ :: 7.485 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 :: 121.44 Ave N Shift Values>> N :: 120.45(4.18) 1.E72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 E 0.27 I 0.24 K 0.01 M 0.01 C Shift Assignments>> C :: 176.333 CA :: 60.34 CB :: 30.062 CG :: 36.944 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 :: 9.337 HA :: 3.929 HB2 :: 2.172 HB3 :: 2.215 HG2 :: 2.365 HG3 :: 2.5 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 :: 120.008 Ave N Shift Values>> N :: 120.67(3.48) 1.D73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.48 L 0.18 F 0.16 C 0.13 C Shift Assignments>> C :: 177.076 CA :: 53.763 CB :: 39.717 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 :: 8.341 HA :: 4.657 HB2 :: 2.638 HB3 :: 2.94 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 :: 110.542 Ave N Shift Values>> N :: 120.65(3.86) 1.E74 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.89 M 0.03 E 0.02 I 0.02 K 0.02 C Shift Assignments>> C :: 176.172 CA :: 57.223 CB :: 32.069 CG :: 39.367 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 :: 8.137 HA :: 4.475 HB2 :: 2.849(S) HB3 :: 2.921(S) HG2 :: 2.378 HG3 :: 2.548 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 :: 118.867 Ave N Shift Values>> N :: 120.67(3.48) 1.V75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.88 A 0.06 V 0.04 C Shift Assignments>> C :: 174.147 CA :: 57.693 CB :: 35.88 CG1 :: 21.847 CG2 :: 18.087 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 :: 7.26 HA :: 5.421 HB :: 1.776 HG11 :: 0.455 HG12 :: 0.455 HG13 :: 0.455 HG21 :: 0.812 HG22 :: 0.812 HG23 :: 0.812 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 :: 107.744 Ave N Shift Values>> N :: 121.14(4.54) 1.E76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 M 0.37 E 0.12 Q 0.02 C Shift Assignments>> C :: 175.337 CA :: 53.726 CB :: 33.128 CG :: 35.893 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 :: 8.436 HA :: 4.825 HB2 :: 1.913 HB3 :: 1.933 HG2 :: 2.201 HG3 :: 2.232 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 Ave N Shift Values>> N :: 120.67(3.48) 1.V77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.8 C 0.19 C Shift Assignments>> C :: 176.697 CA :: 64.011 CB :: 32.228 CG1 :: 21.61 CG2 :: 22.125 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 :: 8.838 HA :: 4.284 HB :: 2.019 HG11 :: 1.017 HG12 :: 1.017 HG13 :: 1.017 HG21 :: 1.013 HG22 :: 1.013 HG23 :: 1.013 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 :: 123.895 Ave N Shift Values>> N :: 121.14(4.54) 1.V78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.57 C 0.42 C Shift Assignments>> C :: 175.064 CA :: 61.159 CB :: 33.694 CG1 :: 21.692 CG2 :: 20.334 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 :: 8.412 HA :: 4.375 HB :: 2.057 HG11 :: 0.889 HG12 :: 0.889 HG13 :: 0.889 HG21 :: 0.734 HG22 :: 0.734 HG23 :: 0.734 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 :: 123.668 Ave N Shift Values>> N :: 121.14(4.54) 1.G79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.05 C 0.04 C Shift Assignments>> C :: 178.476 CA :: 46.512 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.947 HA2 :: 3.716 HA3 :: 3.832 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 117.608 Ave N Shift Values>> N :: 109.67(3.87) ########################################################################### Overall Results: #Consistent: 71 #Clerical: 0 #Suspicious: 8 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 79 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 79 #Suspicious: 0 C Shift Results: #Consistent: 347 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 530 #Duplicate: 0 #Unknown: 0 #Suspicious: 13 #Anomalous: 0 N Shift Results: #Consistent: 83 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.R28 H = 10.669(S), Expected = 8.24, Std = 0.6100, ChiSquare = 6.8347e-05 1.K38 HD2 = 0.185(S), Expected = 1.61, Std = 0.2200, ChiSquare = 9.3395e-11 1.G43 HA2 = 2.737(S), Expected = 3.97, Std = 0.3700, ChiSquare = 8.6090e-04 1.K49 HD2 = 0.826(S), Expected = 1.61, Std = 0.2200, ChiSquare = 3.6575e-04 1.K49 HE2 = 2.098(S), Expected = 2.92, Std = 0.1900, ChiSquare = 1.5162e-05 1.K49 HE3 = 2.157(S), Expected = 2.91, Std = 0.2000, ChiSquare = 1.6655e-04 1.V60 HG11 = -0.208(S), Expected = 0.83, Std = 0.2600, ChiSquare = 6.5433e-05 1.V60 HG12 = -0.208(S), Expected = 0.83, Std = 0.2600, ChiSquare = 6.5433e-05 1.V60 HG13 = -0.208(S), Expected = 0.83, Std = 0.2600, ChiSquare = 6.5433e-05 1.S67 HA = 5.987(S), Expected = 4.48, Std = 0.4000, ChiSquare = 1.6489e-04 1.W69 HZ3 = 5.425(S), Expected = 6.86, Std = 0.4000, ChiSquare = 3.3386e-04 1.E74 HB2 = 2.849(S), Expected = 2.02, Std = 0.2100, ChiSquare = 7.8932e-05 1.E74 HB3 = 2.921(S), Expected = 1.99, Std = 0.2300, ChiSquare = 5.1696e-05