Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.T2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.N3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.66 C 0.14 D 0.05 Y 0.03 F 0.03 M 0.02 E 0.02 C Shift Assignments>> C :: 176.70781 CA :: 51.82291 CB :: 37.45532 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> HA :: 4.73952 HB2 :: 2.62294 HB3 :: 2.83482 HD21 :: 6.93711 HD22 :: 7.59464 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>> ND2 :: 111.18464 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.F4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.38 C 0.33 Y 0.27 C Shift Assignments>> C :: 177.10663 CA :: 61.63534 CB :: 39.36058 CD1 :: 130.36076 CD2 :: 130.36076 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 :: 8.83724 HA :: 3.97031 HB2 :: 2.85747 HB3 :: 3.16564 HD1 :: 7.29248 HD2 :: 7.29248 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 :: 123.53987 Ave N Shift Values>> N :: 120.45(4.18) 1.K5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 K 0.32 R 0.25 G 0.01 C Shift Assignments>> C :: 176.8324 CA :: 58.4782 CB :: 31.87024 CG :: 26.14998 CD :: 28.92252 CE :: 42.37021 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 :: 8.21758 HA :: 4.21605 HB2 :: 1.82943 HB3 :: 1.88733 HG2 :: 1.26385 HG3 :: 1.60857 HD2 :: 1.61332 HD3 :: 1.65882 HE2 :: 2.9554 HE3 :: 2.9554 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 117.91127 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.51 C 0.24 A 0.18 R 0.04 G 0.01 C Shift Assignments>> C :: 177.46226 CA :: 54.01216 CB :: 42.21849 CG :: 26.78915 CD1 :: 22.15333 CD2 :: 25.35983 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 :: 7.12559 HA :: 4.31677 HB2 :: 1.47915 HB3 :: 1.59871 HG :: 1.3796 HD11 :: 0.72118 HD12 :: 0.72118 HD13 :: 0.72118 HD21 :: 0.83267 HD22 :: 0.83267 HD23 :: 0.83267 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 :: 115.92578 Ave N Shift Values>> N :: 121.86(3.9) 1.I7 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.56 C 0.43 C Shift Assignments>> C :: 176.45391 CA :: 61.92987 CB :: 37.59865 CG1 :: 27.66645 CG2 :: 15.03411 CD1 :: 12.24885 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 :: 6.79742 HA :: 3.71717 HB :: 1.3933 HG12 :: 0.67718 HG13 :: 1.06021 HG21 :: -0.30249(S) HG22 :: -0.30249(S) HG23 :: -0.30249(S) HD11 :: 0.00519 HD12 :: 0.00519 HD13 :: 0.00519 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 :: 121.40697 Ave N Shift Values>> N :: 121.46(4.28) 1.T8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.36678 CA :: 61.23501 CB :: 71.53272 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 :: 8.44394 HA :: 4.40526 HB :: 4.67821 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 119.07045 Ave N Shift Values>> N :: 115.42(4.75) 1.D9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.3 Y 0.26 C 0.13 I 0.11 K 0.07 L 0.06 D 0.03 C Shift Assignments>> C :: 178.24339 CA :: 58.8746 CB :: 40.63902 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 :: 9.13068 HA :: 4.86118 HB2 :: 2.86706 HB3 :: 2.94042 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 :: 121.27308 Ave N Shift Values>> N :: 120.65(3.86) 1.T10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.97 C 0.02 C Shift Assignments>> C :: 176.47646 CA :: 66.46262 CB :: 68.79079 CG2 :: 21.38691 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 :: 8.04247 HA :: 3.76116 HB :: 3.97449 HG21 :: 1.13854 HG22 :: 1.13854 HG23 :: 1.13854 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 113.08497 Ave N Shift Values>> N :: 115.42(4.75) 1.E11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 E 0.29 I 0.25 K 0.02 C Shift Assignments>> C :: 180.4304 CA :: 59.24622 CB :: 29.40348 CG :: 37.22627 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 :: 7.42766 HA :: 3.96552 HB2 :: 1.66405 HB3 :: 2.05502 HG2 :: 1.87821 HG3 :: 2.10635 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 :: 122.47258 Ave N Shift Values>> N :: 120.67(3.48) 1.W12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.52 C 0.47 C Shift Assignments>> C :: 178.85461 CA :: 61.10654 CB :: 30.76548 CD1 :: 128.70479 CE3 :: 119.61117 CZ2 :: 114.53893 CZ3 :: 121.46158 CH2 :: 124.22287 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 :: 8.96984 HA :: 4.64472 HB2 :: 3.3972 HB3 :: 3.78238 HD1 :: 7.01913 HE1 :: 10.24891 HE3 :: 7.55351 HZ2 :: 7.5968 HZ3 :: 7.186 HH2 :: 6.91789 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 :: 122.00305 NE1 :: 130.56691 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.R13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 R 0.37 K 0.11 G 0.05 C Shift Assignments>> C :: 177.97942 CA :: 58.36786 CB :: 30.07361 CG :: 28.57956 CD :: 43.21979 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 :: 8.20313 HA :: 3.84004 HB2 :: 1.57466 HB3 :: 1.63985 HG2 :: 0.7102 HG3 :: 1.32493 HD2 :: 2.66373 HD3 :: 2.66373 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 116.29262 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.Q14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.29 K 0.27 C 0.25 E 0.07 M 0.04 R 0.04 C Shift Assignments>> C :: 177.52119 CA :: 56.74269 CB :: 29.08784 CG :: 33.79571 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 :: 7.3388 HA :: 4.23136 HB2 :: 2.13102 HB3 :: 2.13102 HG2 :: 2.34364 HG3 :: 2.47816 HE21 :: 6.69886 HE22 :: 7.29243 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 :: 114.92904 NE2 :: 111.4942 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.R15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 R 0.32 K 0.12 G 0.08 C Shift Assignments>> C :: 175.89536 CA :: 57.69086 CB :: 32.87354 CG :: 27.9833 CD :: 43.57602 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 :: 7.84456 HA :: 4.28219 HB2 :: 2.00351 HB3 :: 2.0974 HG2 :: 1.74454 HG3 :: 1.79843 HD2 :: 2.80271 HD3 :: 2.83777 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 :: 117.77647 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.L16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.47 A 0.28 C 0.17 L 0.06 C Shift Assignments>> C :: 177.16304 CA :: 53.1399 CB :: 44.64385 CD1 :: 27.67189 CD2 :: 21.61271 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 :: 7.67841 HA :: 4.93853 HB2 :: 1.89793 HB3 :: 2.01298 HD11 :: 0.82055 HD12 :: 0.82055 HD13 :: 0.82055 HD21 :: 0.93397 HD22 :: 0.93397 HD23 :: 0.93397 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 118.7083 Ave N Shift Values>> N :: 121.86(3.9) 1.S17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 57.54924 CB :: 64.91729 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.58158 HA :: 4.55605 HB2 :: 3.97559 HB3 :: 4.38701 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 :: 118.7163 Ave N Shift Values>> N :: 116.28(3.52) 1.S18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.24 T 0.24 I 0.2 P 0.13 C 0.05 F 0.02 Y 0.02 S 0.02 W 0.01 C Shift Assignments>> C :: 177.33871 CA :: 62.35346 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> HA :: 3.95928 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.E19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.33 K 0.11 Q 0.11 I 0.06 M 0.04 C Shift Assignments>> C :: 178.28591 CA :: 58.69824 CB :: 29.80435 CG :: 35.55457 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 :: 8.47977 HA :: 4.38869 HB2 :: 1.83265 HB3 :: 2.00365 HG2 :: 2.22838 HG3 :: 2.38183 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 :: 122.25298 Ave N Shift Values>> N :: 120.67(3.48) 1.E20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.18 W 0.15 R 0.12 E 0.12 H 0.11 K 0.08 M 0.06 Q 0.06 V 0.05 I 0.01 C Shift Assignments>> C :: 178.16727 CA :: 58.82143 CB :: 31.04225 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 :: 7.53258 HA :: 3.71595 HB2 :: 1.86493 HB3 :: 2.41344 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 :: 117.36856 Ave N Shift Values>> N :: 120.67(3.48) 1.Y21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.41 F 0.35 C 0.22 C Shift Assignments>> C :: 177.27942 CA :: 63.25848 CB :: 38.96748 CD1 :: 132.26264 CD2 :: 132.26264 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 :: 9.04476 HA :: 3.52182 HB2 :: 2.93298 HB3 :: 3.02364 HD1 :: 6.74873 HD2 :: 6.74873 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 118.75141 Ave N Shift Values>> N :: 120.52(4.2) 1.R22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 R 0.42 K 0.08 G 0.05 C Shift Assignments>> C :: 177.51438 CA :: 58.85923 CB :: 30.88307 CG :: 27.59367 CD :: 43.21563 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 :: 7.95912 HA :: 4.01351 HB2 :: 1.95302 HB3 :: 1.95302 HG2 :: 1.37529 HG3 :: 1.67478 HD2 :: 3.05593 HD3 :: 3.37815 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 :: 119.42395 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.V23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.79 C 0.2 C Shift Assignments>> C :: 176.29502 CA :: 65.79722 CB :: 32.32281 CG1 :: 22.35687 CG2 :: 23.98576 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 :: 7.33784 HA :: 3.31776 HB :: 1.70333 HG11 :: 0.61044 HG12 :: 0.61044 HG13 :: 0.61044 HG21 :: 0.74832 HG22 :: 0.74832 HG23 :: 0.74832 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 :: 116.64842 Ave N Shift Values>> N :: 121.14(4.54) 1.L24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 R 0.31 L 0.19 K 0.02 G 0.01 C Shift Assignments>> C :: 179.00893 CA :: 58.05017 CB :: 42.32506 CG :: 28.53162 CD1 :: 26.58347 CD2 :: 25.02695 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 :: 8.5006 HA :: 4.59385 HB2 :: 0.95896 HB3 :: 1.65393 HG :: 1.97076 HD11 :: 0.78314 HD12 :: 0.78314 HD13 :: 0.78314 HD21 :: 1.01409 HD22 :: 1.01409 HD23 :: 1.01409 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 :: 115.56836 Ave N Shift Values>> N :: 121.86(3.9) 1.R25 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.45 C 0.18 K 0.08 P 0.07 Q 0.07 H 0.05 W 0.03 R 0.01 E 0.01 C Shift Assignments>> C :: 178.00804 CA :: 52.57104 CB :: 26.36534 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 :: 7.92792 HA :: 4.36258 HB2 :: 0.48899(S) HB3 :: 1.35778 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 :: 110.12969 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.E26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 E 0.41 I 0.05 K 0.04 M 0.03 C Shift Assignments>> C :: 175.93647 CA :: 55.5458 CB :: 29.45883 CG :: 37.35253 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 6.6334 HA :: 4.35294 HB2 :: 2.11699 HB3 :: 2.33203 HG2 :: 1.92 HG3 :: 1.9481 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 116.12666 Ave N Shift Values>> N :: 120.67(3.48) 1.A27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.57 A 0.4 C 0.01 C Shift Assignments>> C :: 176.82584 CA :: 52.9716 CB :: 15.47889 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.0375 HA :: 3.44433 HB1 :: 0.81202 HB2 :: 0.81202 HB3 :: 0.81202 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 118.30724 Ave N Shift Values>> N :: 123.23(3.54) 1.G28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent 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 :: 169.64897 CA :: 44.82341 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.29914 HA2 :: 3.2007 HA3 :: 4.05599 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.46355 Ave N Shift Values>> N :: 109.67(3.87) 1.T29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.07007 CA :: 61.51007 CB :: 72.49284 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 :: 7.7891 HA :: 4.56556 HB :: 3.74945 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 :: 110.33369 Ave N Shift Values>> N :: 115.42(4.75) 1.E30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.33 M 0.22 Q 0.04 K 0.01 C Shift Assignments>> C :: 175.67285 CA :: 55.48179 CB :: 31.17459 CG :: 36.26406 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 :: 8.67431 HA :: 4.25186 HB2 :: 2.05601 HB3 :: 2.23879 HG2 :: 2.3599 HG3 :: 2.73019 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 :: 130.45923 Ave N Shift Values>> N :: 120.67(3.48) 1.A31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.75 M 0.23 C Shift Assignments>> C :: 175.85305 CA :: 51.29372 CB :: 16.76401 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.79741 HA :: 4.44794 HB1 :: 1.33719 HB2 :: 1.33719 HB3 :: 1.33719 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 128.11921 Ave N Shift Values>> N :: 123.23(3.54) 1.P32 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> P 0.65 C 0.34 C Shift Assignments>> C :: 176.44639 CA :: 62.41858 CB :: 30.68121 CG :: 26.85766 CD :: 50.36898 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 :: 2.82272(S) HB2 :: 0.74727(S) HB3 :: 0.98127 HG2 :: 1.81503 HG3 :: 1.89483 HD2 :: 3.52726 HD3 :: 3.67186 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.H33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 W 0.32 H 0.26 C Shift Assignments>> C :: 176.06965 CA :: 58.87891 CB :: 28.02709 CD2 :: 118.95739 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 :: 8.97537 HA :: 3.71128 HB2 :: 2.99706 HB3 :: 3.28624 HD2 :: 6.65637 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 :: 112.33969 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.T34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.9 C 0.09 C Shift Assignments>> C :: 175.82465 CA :: 62.15056 CB :: 70.84991 CG2 :: 21.46584 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 :: 7.41942 HA :: 4.40051 HB :: 4.18014 HG21 :: 1.05276 HG22 :: 1.05276 HG23 :: 1.05276 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 106.83687 Ave N Shift Values>> N :: 115.42(4.75) 1.G35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.84 L 0.09 C 0.02 R 0.01 C Shift Assignments>> C :: 176.1435 CA :: 45.32275 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.45649 HA2 :: 3.76682 HA3 :: 4.07257 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.12251 Ave N Shift Values>> N :: 109.67(3.87) 1.E36 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.34 E 0.23 Q 0.17 K 0.12 M 0.07 I 0.03 C Shift Assignments>> C :: 177.90399 CA :: 59.04598 CB :: 30.17836 CG :: 34.85848 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 :: 8.85347 HA :: 3.92476 HB2 :: 1.27008(S) HB3 :: 1.75436 HG2 :: 1.47362(S) HG3 :: 1.54703 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 :: 123.77641 Ave N Shift Values>> N :: 120.67(3.48) 1.Y37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.43 F 0.34 C 0.21 C Shift Assignments>> C :: 177.88896 CA :: 55.89235 CB :: 38.68326 CD1 :: 132.41965 CD2 :: 132.41965 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 :: 7.95767 HA :: 6.14902 HB2 :: 2.49395 HB3 :: 3.58533 HD1 :: 7.36228 HD2 :: 7.36228 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 :: 112.32756 Ave N Shift Values>> N :: 120.52(4.2) 1.T38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.92 C 0.07 C Shift Assignments>> CA :: 68.37349 CB :: 67.7301 CG2 :: 22.36283 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 :: 7.42458 HA :: 2.92668 HB :: 3.74254 HG21 :: 0.65211 HG22 :: 0.65211 HG23 :: 0.65211 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 :: 118.86989 Ave N Shift Values>> N :: 115.42(4.75) 1.N39 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.T40 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.T41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> T 0.88 C 0.11 C Shift Assignments>> C :: 174.22631 CA :: 60.94222 CB :: 69.72685 CG2 :: 21.2686 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>> HA :: 4.62215 HB :: 4.47544 HG21 :: 1.12698 HG22 :: 1.12698 HG23 :: 1.12698 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) 1.T42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.94 C 0.05 C Shift Assignments>> C :: 172.79649 CA :: 63.46922 CB :: 70.31949 CG2 :: 21.38999 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 :: 7.15874 HA :: 3.81812 HB :: 3.5508 HG21 :: 1.23218 HG22 :: 1.23218 HG23 :: 1.23218 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 :: 120.38449 Ave N Shift Values>> N :: 115.42(4.75) 1.E43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.11 H 0.1 Q 0.09 L 0.09 R 0.09 K 0.08 E 0.06 W 0.06 C 0.06 D 0.05 F 0.05 Y 0.05 S 0.02 N 0.01 A 0.01 C Shift Assignments>> C :: 177.05535 CA :: 56.16165 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 :: 8.74951 HA :: 4.25656 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 :: 126.73429 Ave N Shift Values>> N :: 120.67(3.48) 1.G44 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 :: 170.43546 CA :: 45.74127 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.55472 HA2 :: 3.84873 HA3 :: 4.32719 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.6707 Ave N Shift Values>> N :: 109.67(3.87) 1.I45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 I 0.46 C Shift Assignments>> C :: 173.6664 CA :: 58.96406 CB :: 41.31428 CG1 :: 28.08789 CG2 :: 17.22453 CD1 :: 12.37047 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 :: 7.81147 HA :: 4.49755 HB :: 1.63584 HG12 :: 1.04549 HG13 :: 1.46684 HG21 :: 0.7374 HG22 :: 0.7374 HG23 :: 0.7374 HD11 :: 0.74211 HD12 :: 0.74211 HD13 :: 0.74211 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 :: 120.44877 Ave N Shift Values>> N :: 121.46(4.28) 1.Y46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.48 F 0.28 C 0.22 C Shift Assignments>> C :: 175.0504 CA :: 57.09048 CB :: 39.65789 CD1 :: 132.9379 CD2 :: 132.9379 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 :: 9.42795 HA :: 4.84216 HB2 :: 2.57417 HB3 :: 2.65492 HD1 :: 6.41986 HD2 :: 6.41986 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 :: 124.49934 Ave N Shift Values>> N :: 120.52(4.2) 1.S47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.88 T 0.11 C Shift Assignments>> C :: 172.34587 CA :: 55.95865 CB :: 66.6003 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.30705 HA :: 5.04352 HB2 :: 3.3904 HB3 :: 3.29279 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 :: 122.17921 Ave N Shift Values>> N :: 116.28(3.52) 1.C48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.24 V 0.16 W 0.13 R 0.09 K 0.08 E 0.07 H 0.06 M 0.05 Q 0.02 P 0.02 I 0.01 C Shift Assignments>> C :: 178.80012 CA :: 60.03701 CB :: 31.7116 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.92919 HA :: 4.1778 HB2 :: 2.85176 HB3 :: 3.0552 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 :: 123.37284 Ave N Shift Values>> N :: 120.17(4.64) 1.R49 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Suspicious PRTL>> E 0.14 W 0.14 H 0.14 R 0.13 C 0.12 Q 0.12 K 0.08 M 0.05 I 0.01 C Shift Assignments>> C :: 175.99874 CA :: 57.16891 CB :: 30.05596 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 :: 9.25929 HA :: 3.86961 HB2 :: 1.53126 HB3 :: 1.53126 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 :: 133.41699(S) 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.A50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.55 L 0.17 C 0.11 M 0.08 V 0.03 T 0.01 C Shift Assignments>> C :: 178.55774 CA :: 54.9886 CB :: 20.69016 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.61793 HA :: 4.18763 HB1 :: 1.37963 HB2 :: 1.37963 HB3 :: 1.37963 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.18407 Ave N Shift Values>> N :: 123.23(3.54) 1.C51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.2 K 0.17 M 0.12 R 0.1 W 0.09 H 0.08 Q 0.07 E 0.06 V 0.06 C Shift Assignments>> C :: 176.79471 CA :: 58.16543 CB :: 32.47501 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.3588 HA :: 4.57199 HB2 :: 1.83022 HB3 :: 1.75326 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 114.939 Ave N Shift Values>> N :: 120.17(4.64) 1.G52 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 :: 174.12181 CA :: 45.90963 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.35755 HA2 :: 3.67336 HA3 :: 4.09028 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 113.65075 Ave N Shift Values>> N :: 109.67(3.87) 1.T53 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 :: 173.66014 CA :: 64.45337 CB :: 69.11404 CG2 :: 21.38116 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 :: 8.12054 HA :: 3.94931 HB :: 3.76349 HG21 :: 1.09984 HG22 :: 1.09984 HG23 :: 1.09984 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 :: 120.34202 Ave N Shift Values>> N :: 115.42(4.75) 1.E54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.35 K 0.08 I 0.07 Q 0.06 M 0.04 C Shift Assignments>> C :: 175.35409 CA :: 58.42597 CB :: 29.83342 CG :: 36.05616 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 :: 8.80519 HA :: 3.7297 HB2 :: 1.54018 HB3 :: 1.72785 HG2 :: 2.05112 HG3 :: 2.27103 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 :: 127.27447 Ave N Shift Values>> N :: 120.67(3.48) 1.L55 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.97 A 0.01 C Shift Assignments>> C :: 174.98564 CA :: 56.56234 CB :: 49.14404(S) CD1 :: 27.74779 CD2 :: 23.77137 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 :: 8.23333 HA :: 4.14837 HB2 :: 0.46058(S) HB3 :: 1.38442 HD11 :: 0.61606 HD12 :: 0.61606 HD13 :: 0.61606 HD21 :: 0.62715 HD22 :: 0.62715 HD23 :: 0.62715 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 :: 120.13279 Ave N Shift Values>> N :: 121.86(3.9) 1.F56 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.68 L 0.19 C 0.05 R 0.03 F 0.01 D 0.01 C Shift Assignments>> C :: 174.2039 CA :: 55.75635 CB :: 45.32526 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 :: 7.8646 HA :: 4.68767 HB2 :: 1.46105(S) HB3 :: 2.04132 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 :: 112.56981 Ave N Shift Values>> N :: 120.45(4.18) 1.R57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.48 C 0.35 R 0.14 C Shift Assignments>> C :: 177.72728 CA :: 55.10644 CB :: 33.23469 CG :: 28.12806 CD :: 41.82447 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 :: 9.58098 HA :: 5.03853 HB2 :: 2.13419 HB3 :: 2.13419 HG2 :: 1.60939 HG3 :: 1.60939 HD2 :: 2.98175 HD3 :: 2.98175 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 :: 120.15929 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.S58 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent C Shift Assignments>> C :: 176.95498 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.9137 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 :: 117.12743 Ave N Shift Values>> N :: 116.28(3.52) 1.T59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.84 C 0.15 HN Overlap>> 1.C127 1.C127 C Shift Assignments>> C :: 175.69137 CA :: 64.13425 CB :: 68.41206 CG2 :: 23.13521 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 :: 7.16615 HA :: 4.21877 HB :: 4.34031 HG21 :: 1.30564 HG22 :: 1.30564 HG23 :: 1.30564 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 :: 112.12101 Ave N Shift Values>> N :: 115.42(4.75) 1.E60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.7 I 0.16 E 0.08 L 0.02 C Shift Assignments>> C :: 173.69887 CA :: 56.42811 CB :: 29.47451 CG :: 39.1033 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 :: 7.27501 HA :: 4.26788 HB2 :: 1.49035 HB3 :: 2.08704 HG2 :: 1.6725 HG3 :: 2.05007 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 :: 118.84477 Ave N Shift Values>> N :: 120.67(3.48) 1.K61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.23 E 0.23 M 0.19 Q 0.09 K 0.09 Y 0.04 N 0.03 F 0.02 H 0.01 R 0.01 C Shift Assignments>> C :: 175.69688 CA :: 55.54139 CB :: 35.52502 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 :: 7.42521 HA :: 4.45143 HB2 :: 1.29478 HB3 :: 2.03036 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 :: 124.02507 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.F62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.6 F 0.39 C Shift Assignments>> CD1 :: 132.58497 CD2 :: 132.58497 CE1 :: 130.12536 CE2 :: 130.12536 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 :: 8.45997 HD1 :: 6.96042 HD2 :: 6.96042 HE1 :: 6.48691 HE2 :: 6.48691 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 :: 123.57683 Ave N Shift Values>> N :: 120.45(4.18) 1.N63 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S64 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H65 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.C66 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G67 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> R 0.34 L 0.3 G 0.15 D 0.05 F 0.04 C 0.04 Y 0.02 K 0.01 C Shift Assignments>> C :: 172.63765 CA :: 43.73757 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> HA2 :: 2.30913(S) HA3 :: 2.68658 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) 1.W68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 W 0.38 H 0.19 C Shift Assignments>> CA :: 58.04769 CB :: 31.31904 CD1 :: 127.01411 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 :: 7.3722 HA :: 4.72221 HB2 :: 2.72516 HB3 :: 3.2239 HD1 :: 7.66767 HE1 :: 10.15163 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 120.25356 NE1 :: 130.98084 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.P69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.44 V 0.38 C 0.12 W 0.01 I 0.01 C Shift Assignments>> C :: 173.2326 CA :: 63.77537 CB :: 31.96184 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 3.93578 HB2 :: 1.42358 HB3 :: 1.99107 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.S70 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> S 0.98 T 0.01 HN Overlap>> 1.E111 1.E111 C Shift Assignments>> CA :: 55.20528 CB :: 65.85607 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.97158 HA :: 5.45655 HB2 :: 2.73406(S) HB3 :: 2.9164(S) 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 :: 115.58543 Ave N Shift Values>> N :: 116.28(3.52) 1.F71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.35 R 0.23 G 0.19 D 0.08 C 0.05 F 0.03 Y 0.02 K 0.01 C Shift Assignments>> C :: 177.121 CA :: 54.67944 CB :: 44.04936 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 :: 8.41563 HA :: 5.73399 HB2 :: 2.10172 HB3 :: 2.75251 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 :: 118.45489 Ave N Shift Values>> N :: 120.45(4.18) 1.F72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.24 C 0.22 F 0.18 E 0.13 I 0.06 N 0.06 M 0.03 D 0.03 L 0.01 C Shift Assignments>> C :: 175.80268 CA :: 56.84948 CB :: 37.77383 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 :: 9.54482 HA :: 5.99386 HB2 :: 2.7928 HB3 :: 4.0408 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 :: 118.49076 Ave N Shift Values>> N :: 120.45(4.18) 1.S73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.95 T 0.04 C Shift Assignments>> CA :: 57.37949 CB :: 66.00209 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.01959 HA :: 4.82543 HB2 :: 3.68341 HB3 :: 4.03559 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 :: 114.25259 Ave N Shift Values>> N :: 116.28(3.52) 1.P74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.56 C 0.43 C Shift Assignments>> C :: 176.49014 CA :: 61.79296 CB :: 31.79274 CG :: 26.10724 CD :: 50.12551 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 :: 4.34736 HB2 :: 1.12244 HB3 :: 1.51654 HG2 :: 1.25175 HG3 :: 1.47894 HD2 :: 2.92329 HD3 :: 3.46497 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.L75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 L 0.35 R 0.16 G 0.08 C Shift Assignments>> C :: 175.98352 CA :: 58.39608 CB :: 43.36097 CG :: 27.29178 CD1 :: 25.95196 CD2 :: 25.48419 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 :: 8.14086 HA :: 3.69379 HB2 :: 1.08314 HG :: 1.2457 HD11 :: 0.56658 HD12 :: 0.56658 HD13 :: 0.56658 HD21 :: 0.59809 HD22 :: 0.59809 HD23 :: 0.59809 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 :: 121.48306 Ave N Shift Values>> N :: 121.86(3.9) 1.A76 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 :: 178.00277 CA :: 51.22174 CB :: 21.75548 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 6.95375 HA :: 4.27254 HB1 :: 1.30606 HB2 :: 1.30606 HB3 :: 1.30606 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 114.41612 Ave N Shift Values>> N :: 123.23(3.54) 1.G77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.88 L 0.05 C 0.05 C Shift Assignments>> C :: 173.75313 CA :: 46.68555 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> HA2 :: 3.69856 HA3 :: 3.8097 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) 1.D78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.41 D 0.25 L 0.08 F 0.08 C 0.07 Y 0.07 C Shift Assignments>> C :: 176.59392 CA :: 53.35237 CB :: 39.46491 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 :: 8.09964 HA :: 4.51196 HB2 :: 2.45709 HB3 :: 2.74658 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 :: 115.18496 Ave N Shift Values>> N :: 120.65(3.86) 1.K79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 K 0.35 R 0.26 G 0.01 C Shift Assignments>> C :: 177.01144 CA :: 56.02645 CB :: 33.3368 CG :: 25.20727 CD :: 27.58912 CE :: 42.49293 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 :: 7.42185 HA :: 4.04188 HB2 :: 1.64414 HB3 :: 1.84683 HG2 :: 1.28668 HG3 :: 1.28668 HD2 :: 1.48729 HD3 :: 1.55663 HE2 :: 2.72099 HE3 :: 2.81847 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 :: 115.66277 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.84 V 0.1 A 0.05 C Shift Assignments>> C :: 174.10882 CA :: 57.85747 CB :: 34.88931 CG1 :: 21.79589 CG2 :: 18.44929 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 :: 7.57874 HA :: 5.04952 HB :: 1.97845 HG11 :: 0.36949 HG12 :: 0.36949 HG13 :: 0.36949 HG21 :: 0.60324 HG22 :: 0.60324 HG23 :: 0.60324 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 :: 108.96603 Ave N Shift Values>> N :: 121.14(4.54) 1.I81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.57 C 0.41 C Shift Assignments>> C :: 174.30657 CA :: 59.75156 CB :: 40.5982 CG1 :: 27.52904 CG2 :: 16.88411 CD1 :: 13.56376 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 :: 8.64444 HA :: 4.19105 HB :: 1.3519 HG12 :: 0.93367 HG13 :: 1.22172 HG21 :: 0.72327 HG22 :: 0.72327 HG23 :: 0.72327 HD11 :: 0.78522 HD12 :: 0.78522 HD13 :: 0.78522 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 :: 122.39695 Ave N Shift Values>> N :: 121.46(4.28) 1.E82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.35 M 0.18 Q 0.04 K 0.03 C Shift Assignments>> C :: 176.44002 CA :: 54.04144 CB :: 30.63284 CG :: 36.4291 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 :: 8.28609 HA :: 5.25316 HB2 :: 1.59591 HB3 :: 1.70862 HG2 :: 1.90173 HG3 :: 2.18126 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 :: 125.34837 Ave N Shift Values>> N :: 120.67(3.48) 1.R83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 G 0.33 R 0.15 K 0.04 C Shift Assignments>> C :: 174.42421 CA :: 54.29761 CB :: 34.05159 CG :: 25.90671 CD :: 44.05228 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 :: 8.88685 HA :: 4.78013 HB2 :: 1.67943 HB3 :: 1.71304 HG2 :: 1.44147 HG3 :: 1.44147 HD2 :: 2.91193 HD3 :: 3.02289 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 :: 121.72082 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.T84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.94 C 0.05 C Shift Assignments>> C :: 173.22502 CA :: 64.89181 CB :: 68.87605 CG2 :: 22.30744 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 :: 8.79299 HA :: 4.30792 HB :: 3.95854 HG21 :: 1.15906 HG22 :: 1.15906 HG23 :: 1.15906 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 :: 120.83535 Ave N Shift Values>> N :: 115.42(4.75) 1.D85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.31 G 0.23 R 0.18 D 0.14 C 0.04 F 0.02 K 0.01 Y 0.01 N 0.01 C Shift Assignments>> C :: 177.13196 CA :: 52.58547 CB :: 43.67236 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 :: 9.18356 HA :: 5.02419 HB2 :: 2.70363 HB3 :: 2.70363 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 :: 127.7947 Ave N Shift Values>> N :: 120.65(3.86) 1.T86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.82 C 0.16 S 0.01 C Shift Assignments>> C :: 175.06494 CA :: 60.82887 CB :: 67.96621 CG2 :: 21.45801 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 :: 8.90094 HA :: 5.30478 HB :: 4.62193 HG21 :: 1.12381 HG22 :: 1.12381 HG23 :: 1.12381 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 119.13443 Ave N Shift Values>> N :: 115.42(4.75) 1.S87 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 8.35222 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 :: 118.59751 Ave N Shift Values>> N :: 116.28(3.52) 1.H88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> R 0.21 L 0.15 C 0.14 Q 0.12 W 0.08 H 0.07 K 0.06 E 0.06 I 0.04 C Shift Assignments>> C :: 175.03289 CA :: 56.98849 CB :: 27.31818 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> HA :: 4.14241 HB2 :: 3.00027 HB3 :: 3.26415 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) 1.G89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.06 C 0.03 C Shift Assignments>> C :: 173.95154 CA :: 46.22394 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.54017 HA2 :: 3.68665 HA3 :: 3.90865 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.42335 Ave N Shift Values>> N :: 109.67(3.87) 1.M90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 E 0.3 M 0.26 Q 0.01 C Shift Assignments>> C :: 173.78002 CA :: 54.12431 CB :: 36.73283 CG :: 31.4858 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 :: 7.33336 HA :: 4.60869 HB2 :: 1.90792 HB3 :: 1.90792 HG2 :: 2.38631 HG3 :: 2.38631 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 :: 118.48619 Ave N Shift Values>> N :: 120.09(3.57) 1.V91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.73 C 0.26 C Shift Assignments>> C :: 175.65966 CA :: 63.11833 CB :: 32.4955 CG1 :: 21.23252 CG2 :: 21.12206 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 :: 8.11284 HA :: 4.37652 HB :: 1.86164 HG11 :: 0.76435 HG12 :: 0.76435 HG13 :: 0.76435 HG21 :: 0.81641 HG22 :: 0.81641 HG23 :: 0.81641 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 :: 119.57301 Ave N Shift Values>> N :: 121.14(4.54) 1.R92 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.38 C 0.19 E 0.11 Y 0.09 M 0.06 F 0.06 D 0.03 K 0.01 L 0.01 C Shift Assignments>> C :: 174.77359 CA :: 53.97452 CB :: 37.13073(S) Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.68279 HA :: 4.68242 HB2 :: 1.49741 HB3 :: 1.70162 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 :: 125.76015 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.T93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.82 C 0.17 C Shift Assignments>> C :: 173.96059 CA :: 62.04421 CB :: 68.65128 CG2 :: 22.71602 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 :: 9.37339 HA :: 4.61366 HB :: 4.01122 HG21 :: 0.93115 HG22 :: 0.93115 HG23 :: 0.93115 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 :: 120.04894 Ave N Shift Values>> N :: 115.42(4.75) 1.E94 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent HN Overlap>> 1.A109 1.A109 C Shift Assignments>> C :: 174.0574 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 :: 9.31101 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 :: 129.61746 Ave N Shift Values>> N :: 120.67(3.48) 1.V95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.5 C 0.49 C Shift Assignments>> C :: 174.67338 CA :: 60.17807 CB :: 33.62337 CG1 :: 21.34005 CG2 :: 22.29926 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 :: 8.03599 HA :: 4.76621 HB :: 1.3061 HG11 :: 0.64722 HG12 :: 0.64722 HG13 :: 0.64722 HG21 :: 0.78325 HG22 :: 0.78325 HG23 :: 0.78325 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 :: 122.70664 Ave N Shift Values>> N :: 121.14(4.54) 1.I96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 I 0.47 A 0.01 C Shift Assignments>> C :: 174.62873 CA :: 58.30371 CB :: 41.15187 CG1 :: 26.92189 CG2 :: 17.04016 CD1 :: 12.84314 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 :: 8.75214 HA :: 4.85944 HB :: 1.40524 HG12 :: 0.77729 HG13 :: 0.92935 HG21 :: 0.52321 HG22 :: 0.52321 HG23 :: 0.52321 HD11 :: 0.4883 HD12 :: 0.4883 HD13 :: 0.4883 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 :: 121.98412 Ave N Shift Values>> N :: 121.46(4.28) 1.C97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.24 V 0.16 W 0.13 R 0.09 K 0.08 E 0.07 H 0.07 M 0.05 Q 0.03 P 0.02 I 0.01 C Shift Assignments>> C :: 177.27162 CA :: 60.05647 CB :: 31.60654 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.452 HA :: 4.02112 HB2 :: 2.82327 HB3 :: 3.09575 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 :: 125.38381 Ave N Shift Values>> N :: 120.17(4.64) 1.A98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.58 M 0.34 C 0.03 I 0.01 C Shift Assignments>> C :: 177.10781 CA :: 54.67501 CB :: 18.83592 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.11176 HA :: 3.87012 HB1 :: 1.08911 HB2 :: 1.08911 HB3 :: 1.08911 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 130.60208 Ave N Shift Values>> N :: 123.23(3.54) 1.N99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.22 F 0.19 Y 0.17 L 0.13 N 0.12 C 0.1 I 0.02 K 0.01 C Shift Assignments>> C :: 175.60703 CA :: 55.6013 CB :: 39.89961 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 :: 8.8694 HA :: 4.68957 HB2 :: 2.55011 HB3 :: 3.22245 HD21 :: 6.94048 HD22 :: 8.00187 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 118.05864 ND2 :: 116.76432 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.C100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.2 K 0.18 M 0.14 Q 0.11 R 0.09 W 0.07 H 0.07 V 0.06 E 0.05 C Shift Assignments>> C :: 175.21912 CA :: 58.05023 CB :: 32.79839 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.18175 HA :: 4.75475 HB2 :: 2.33715 HB3 :: 3.46794 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 :: 115.34068 Ave N Shift Values>> N :: 120.17(4.64) 1.E101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 I 0.31 E 0.08 K 0.02 L 0.02 C Shift Assignments>> C :: 174.96474 CA :: 58.13239 CB :: 26.28967 CG :: 37.3521 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 :: 8.05025 HA :: 3.99354 HB2 :: 2.17658 HB3 :: 2.22687 HG2 :: 1.8914 HG3 :: 1.93305 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 :: 118.42193 Ave N Shift Values>> N :: 120.67(3.48) 1.S102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.34075 CA :: 60.15336 CB :: 63.02209 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.33033 HA :: 4.1791 HB2 :: 3.19027 HB3 :: 3.63625 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 116.1839 Ave N Shift Values>> N :: 116.28(3.52) 1.H103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.36 C 0.34 H 0.29 C Shift Assignments>> C :: 172.97353 CA :: 58.10426 CB :: 28.05618 CD2 :: 121.58662 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 :: 9.42337 HA :: 3.98477 HB2 :: 2.92512 HB3 :: 3.68005 HD2 :: 6.90835 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 :: 123.04744 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.L104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.25 G 0.24 R 0.21 L 0.19 A 0.09 C Shift Assignments>> C :: 176.80946 CA :: 54.45874 CB :: 44.1225 CG :: 26.62808 CD1 :: 27.92702 CD2 :: 22.45077 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 :: 7.83322 HA :: 4.69536 HB2 :: 1.1524 HB3 :: 1.25042 HG :: 1.59293 HD11 :: 0.5515 HD12 :: 0.5515 HD13 :: 0.5515 HD21 :: 0.71112 HD22 :: 0.71112 HD23 :: 0.71112 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 :: 120.77696 Ave N Shift Values>> N :: 121.86(3.9) 1.G105 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 :: 171.32547 CA :: 45.66309 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 6.4533 HA2 :: 3.07686 HA3 :: 4.79799 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 102.73366 Ave N Shift Values>> N :: 109.67(3.87) 1.H106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.64 Y 0.34 H 0.01 C Shift Assignments>> C :: 172.46698 CA :: 56.79063 CB :: 36.48608 CD2 :: 116.71019 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 :: 8.36161 HA :: 5.18674 HB2 :: 2.25686 HB3 :: 2.54578 HD2 :: 6.28803 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 :: 121.54448 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.V107 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.85 V 0.08 A 0.05 C Shift Assignments>> C :: 172.97325 CA :: 57.72666 CB :: 34.5855 CG1 :: 20.40745 CG2 :: 18.31096 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 :: 8.26154 HA :: 5.1414 HB :: 0.98567 HG11 :: -0.16496(S) HG12 :: -0.16496(S) HG13 :: -0.16496(S) HG21 :: 0.41277 HG22 :: 0.41277 HG23 :: 0.41277 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 :: 117.60727 Ave N Shift Values>> N :: 121.14(4.54) 1.F108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.5 F 0.47 G 0.01 C Shift Assignments>> C :: 174.8657 CB :: 42.31581 CD1 :: 132.44127 CD2 :: 132.44127 CE1 :: 130.72183 CE2 :: 130.72183 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 :: 8.51107 HB2 :: 2.95005 HB3 :: 2.95005 HD1 :: 7.16291 HD2 :: 7.16291 HE1 :: 7.06242 HE2 :: 7.06242 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 :: 127.29308 Ave N Shift Values>> N :: 120.45(4.18) 1.A109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.6 L 0.27 C 0.1 HN Overlap>> 1.E94 1.E94 C Shift Assignments>> C :: 179.00171 CA :: 51.01462 CB :: 22.22985 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.31106 HA :: 5.31372 HB1 :: 1.36172 HB2 :: 1.36172 HB3 :: 1.36172 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 129.66986 Ave N Shift Values>> N :: 123.23(3.54) 1.G110 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 :: 176.64153 CA :: 47.09943 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.46755 HA2 :: 3.89114 HA3 :: 4.33605 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.73272 Ave N Shift Values>> N :: 109.67(3.87) 1.E111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 E 0.32 M 0.13 I 0.01 HN Overlap>> 1.S70 1.S70 C Shift Assignments>> C :: 177.21589 CA :: 56.95964 CB :: 31.54336 CG :: 37.39874 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 :: 7.96013 HA :: 4.03774 HB2 :: 2.02811 HB3 :: 2.02811 HG2 :: 2.13174 HG3 :: 2.13174 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 115.65558 Ave N Shift Values>> N :: 120.67(3.48) 1.G112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.06 C 0.03 C Shift Assignments>> C :: 176.17084 CA :: 46.03516 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.21961 HA2 :: 3.6354 HA3 :: 3.82503 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.66721 Ave N Shift Values>> N :: 109.67(3.87) 1.Y113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.29 Y 0.23 C 0.22 F 0.17 E 0.05 C Shift Assignments>> C :: 175.72272 CA :: 59.95433 CB :: 37.85538 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 :: 7.5254 HA :: 4.19897 HB2 :: 2.67046 HB3 :: 2.87281 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 118.17281 Ave N Shift Values>> N :: 120.52(4.2) 1.D114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.5 D 0.17 C 0.09 Y 0.08 F 0.07 L 0.04 C Shift Assignments>> C :: 174.72629 CA :: 53.38047 CB :: 38.73824 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 :: 8.75669 HA :: 4.56376 HB2 :: 2.47408 HB3 :: 2.75729 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 :: 121.30166 Ave N Shift Values>> N :: 120.65(3.86) 1.T115 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> T 0.41 C 0.41 A 0.17 C Shift Assignments>> C :: 174.39621 CA :: 58.18181 CB :: 69.40281 CG2 :: 19.33221 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 :: 7.75668 HA :: 4.26893 HB :: 3.32175 HG21 :: 0.11432(S) HG22 :: 0.11432(S) HG23 :: 0.11432(S) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 114.13479 Ave N Shift Values>> N :: 115.42(4.75) 1.P116 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> P 0.78 C 0.21 C Shift Assignments>> C :: 177.69393 CA :: 64.10287 CB :: 32.51164 CG :: 27.9932 CD :: 49.70308 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 :: 4.2394 HB2 :: 1.66171 HB3 :: 2.27183 HG2 :: 1.70174 HG3 :: 1.70174 HD2 :: 1.48802(S) HD3 :: 3.08125 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) SRO Rule Breaks>> (HD2 > HG2 : 0.9934) (HD2 > HG3 : 0.9949) 1.T117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.75 C 0.24 C Shift Assignments>> C :: 175.29938 CA :: 60.39551 CB :: 70.99656 CG2 :: 22.47307 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 6.55442 HA :: 4.38933 HB :: 4.45273 HG21 :: 1.39485 HG22 :: 1.39485 HG23 :: 1.39485 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 :: 99.87075 Ave N Shift Values>> N :: 115.42(4.75) 1.D118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.25 L 0.21 F 0.13 K 0.12 Y 0.1 C 0.06 N 0.06 R 0.01 C Shift Assignments>> C :: 174.20854 CA :: 55.33277 CB :: 41.05916 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 :: 7.72223 HA :: 4.20723 HB2 :: 2.41856 HB3 :: 3.27269 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 :: 120.18874 Ave N Shift Values>> N :: 120.65(3.86) 1.L119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.57 C 0.22 L 0.13 A 0.06 C Shift Assignments>> C :: 176.73469 CA :: 53.73055 CB :: 46.05955 CG :: 25.68276 CD1 :: 23.25156 CD2 :: 26.30905 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 :: 7.56489 HA :: 5.04573 HB2 :: 0.94411 HB3 :: 2.09957 HG :: 1.66719 HD11 :: 0.79991 HD12 :: 0.79991 HD13 :: 0.79991 HD21 :: 1.07425 HD22 :: 1.07425 HD23 :: 1.07425 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 114.78366 Ave N Shift Values>> N :: 121.86(3.9) 1.R120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.23 Q 0.21 C 0.19 K 0.15 E 0.07 H 0.03 R 0.03 W 0.01 Y 0.01 C Shift Assignments>> C :: 174.51976 CA :: 55.30109 CB :: 34.46674 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 :: 9.13421 HA :: 4.89495 HB2 :: 1.52653 HB3 :: 1.52653 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 :: 122.79835 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.Y121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.55 C 0.43 C Shift Assignments>> C :: 173.34681 CA :: 58.94694 CB :: 37.12201 CD1 :: 132.38426 CD2 :: 132.38426 CE1 :: 118.12677 CE2 :: 118.12677 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 :: 9.93309 HA :: 4.21434 HB2 :: 2.27718 HB3 :: 3.14327 HD1 :: 6.93646 HD2 :: 6.93646 HE1 :: 6.76871 HE2 :: 6.76871 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 :: 128.21577 Ave N Shift Values>> N :: 120.52(4.2) 1.C122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.22 C 0.16 L 0.14 Q 0.1 W 0.08 I 0.08 H 0.06 E 0.05 K 0.05 C Shift Assignments>> C :: 172.17472 CA :: 57.79831 CB :: 27.09405 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 9.41794 HA :: 4.69001 HB2 :: 2.40705 HB3 :: 3.20421 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 :: 129.80856 Ave N Shift Values>> N :: 120.17(4.64) 1.I123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.62 A 0.34 I 0.03 C Shift Assignments>> C :: 174.39176 CA :: 56.10624 CB :: 38.8175 CG1 :: 25.74674 CG2 :: 17.72776 CD1 :: 8.91429 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 :: 7.98069 HA :: 4.35803 HB :: 1.50567 HG12 :: 0.50222 HG13 :: 1.24299 HG21 :: 0.78649 HG22 :: 0.78649 HG23 :: 0.78649 HD11 :: 0.34701 HD12 :: 0.34701 HD13 :: 0.34701 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 128.35531 Ave N Shift Values>> N :: 121.46(4.28) 1.N124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.25 L 0.22 K 0.14 F 0.12 Y 0.09 C 0.06 N 0.05 R 0.01 C Shift Assignments>> C :: 175.95635 CA :: 55.20662 CB :: 41.23457 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 :: 7.55315 HA :: 4.5484 HB2 :: 2.59662 HB3 :: 3.50526 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 :: 119.80171 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.S125 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.V126 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 :: 173.19258 CA :: 62.89464 CB :: 31.75987 CG1 :: 20.81871 CG2 :: 22.68302 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 :: 8.63992 HA :: 4.17234 HB :: 2.25968 HG11 :: 0.92813 HG12 :: 0.92813 HG13 :: 0.92813 HG21 :: 1.06649 HG22 :: 1.06649 HG23 :: 1.06649 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 :: 115.76068 Ave N Shift Values>> N :: 121.14(4.54) 1.C127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.23 C 0.22 R 0.17 W 0.08 L 0.07 Q 0.06 K 0.04 H 0.04 E 0.03 P 0.01 HN Overlap>> 1.T59 1.T59 C Shift Assignments>> C :: 174.23734 CA :: 59.50662 CB :: 26.83848 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.16369 HA :: 4.23381 HB2 :: 2.98745 HB3 :: 3.35053 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 :: 112.17153 Ave N Shift Values>> N :: 120.17(4.64) 1.L128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 A 0.34 G 0.18 L 0.11 C Shift Assignments>> C :: 176.77289 CA :: 52.67445 CB :: 47.76183 CG :: 26.17804 CD1 :: 24.79842 CD2 :: 22.64777 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 :: 8.25337 HA :: 5.71191 HB2 :: 1.44232 HB3 :: 2.19395 HG :: 1.69485 HD11 :: 0.49692 HD12 :: 0.49692 HD13 :: 0.49692 HD21 :: 0.70973 HD22 :: 0.70973 HD23 :: 0.70973 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 118.69319 Ave N Shift Values>> N :: 121.86(3.9) 1.T129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.82 C 0.17 C Shift Assignments>> C :: 173.57555 CA :: 61.99497 CB :: 71.7517 CG2 :: 22.21219 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 :: 9.13344 HA :: 4.58987 HB :: 3.72031 HG21 :: 1.04817 HG22 :: 1.04817 HG23 :: 1.04817 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 117.43245 Ave N Shift Values>> N :: 115.42(4.75) 1.L130 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> A 0.61 C 0.26 R 0.07 L 0.03 C Shift Assignments>> C :: 175.11983 CA :: 54.33387 CB :: 41.82844 CG :: 27.10726 CD1 :: 19.81109 CD2 :: 26.07571 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 :: 7.77671 HA :: 3.92997 HB2 :: 0.43217(S) HB3 :: 1.47766 HG :: 0.67245 HD11 :: -0.4329(S) HD12 :: -0.4329(S) HD13 :: -0.4329(S) HD21 :: 0.56935 HD22 :: 0.56935 HD23 :: 0.56935 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 :: 127.06136 Ave N Shift Values>> N :: 121.86(3.9) 1.I131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 I 0.47 A 0.02 C Shift Assignments>> C :: 174.35608 CA :: 57.8758 CB :: 37.3603 CG1 :: 26.65747 CG2 :: 17.35815 CD1 :: 12.48516 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 :: 9.2214 HA :: 4.44778 HB :: 1.85825 HG12 :: 1.06262 HG13 :: 1.34001 HG21 :: 0.76095 HG22 :: 0.76095 HG23 :: 0.76095 HD11 :: 0.70172 HD12 :: 0.70172 HD13 :: 0.70172 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 130.78887 Ave N Shift Values>> N :: 121.46(4.28) 1.P132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.64 C 0.35 C Shift Assignments>> C :: 176.12271 CA :: 62.6762 CB :: 32.40512 CG :: 27.31669 CD :: 51.46243 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 :: 4.3916 HB2 :: 1.88451 HB3 :: 2.12903 HG2 :: 1.72148 HG3 :: 2.01755 HD2 :: 3.66343 HD3 :: 3.80028 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.A133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.87 M 0.09 C 0.01 C Shift Assignments>> C :: 177.7718 CA :: 52.53527 CB :: 19.2352 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.32506 HA :: 4.17346 HB1 :: 1.20465 HB2 :: 1.20465 HB3 :: 1.20465 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.235 Ave N Shift Values>> N :: 123.23(3.54) 1.E134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.32 M 0.18 Q 0.06 K 0.03 I 0.01 C Shift Assignments>> C :: 176.0961 CA :: 56.1054 CB :: 30.85777 CG :: 36.06992 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 :: 8.30995 HA :: 4.24307 HB2 :: 1.82627 HB3 :: 1.96332 HG2 :: 2.16155 HG3 :: 2.20875 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 :: 119.87694 Ave N Shift Values>> N :: 120.67(3.48) 1.E135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.4 C 0.33 M 0.12 Q 0.05 K 0.05 I 0.02 C Shift Assignments>> C :: 175.64399 CA :: 56.53705 CB :: 30.47611 CG :: 36.2206 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 :: 8.40831 HA :: 4.25534 HB2 :: 1.85311 HB3 :: 2.02531 HG2 :: 2.17519 HG3 :: 2.22031 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 :: 122.8467 Ave N Shift Values>> N :: 120.67(3.48) 1.S136 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 :: 178.68202 CA :: 59.94808 CB :: 64.91073 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.95771 HA :: 4.18966 HB2 :: 3.76829 HB3 :: 3.76829 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 :: 122.85604 Ave N Shift Values>> N :: 116.28(3.52) 2.ZN1 Overall Status: Residue type ZN not supported. ########################################################################### Overall Results: #Consistent: 122 #Clerical: 0 #Suspicious: 14 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 124 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 12 Shift Relative Order (SRO) Results: #Consistent: 135 #Suspicious: 1 C Shift Results: #Consistent: 486 #Duplicate: 0 #Unknown: 0 #Suspicious: 2 #Anomalous: 0 H Shift Results: #Consistent: 722 #Duplicate: 0 #Unknown: 0 #Suspicious: 24 #Anomalous: 0 N Shift Results: #Consistent: 120 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 Error Summary: 1.I7 HG21 = -0.30249(S), Expected = 0.77, Std = 0.2700, ChiSquare = 7.1216e-05 1.I7 HG22 = -0.30249(S), Expected = 0.77, Std = 0.2700, ChiSquare = 7.1216e-05 1.I7 HG23 = -0.30249(S), Expected = 0.77, Std = 0.2700, ChiSquare = 7.1216e-05 1.R25 HB2 = 0.48899(S), Expected = 1.79, Std = 0.2700, ChiSquare = 1.4460e-06 1.P32 HA = 2.82272(S), Expected = 4.40, Std = 0.3300, ChiSquare = 1.7561e-06 1.P32 HB2 = 0.74727(S), Expected = 2.08, Std = 0.3500, ChiSquare = 1.4021e-04 1.E36 HB2 = 1.27008(S), Expected = 2.02, Std = 0.2100, ChiSquare = 3.5556e-04 1.E36 HG2 = 1.47362(S), Expected = 2.27, Std = 0.2100, ChiSquare = 1.4927e-04 1.R49 N = 133.41699(S), Expected = 120.80, Std = 3.6800, ChiSquare = 6.0686e-04 1.L55 CB = 49.14404(S), Expected = 42.31, Std = 1.8800, ChiSquare = 2.7784e-04 1.L55 HB2 = 0.46058(S), Expected = 1.61, Std = 0.3400, ChiSquare = 7.2315e-04 1.F56 HB2 = 1.46105(S), Expected = 3.00, Std = 0.3700, ChiSquare = 3.1919e-05 1.G67 HA2 = 2.30913(S), Expected = 3.97, Std = 0.3700, ChiSquare = 7.1613e-06 1.S70 HB2 = 2.73406(S), Expected = 3.88, Std = 0.2500, ChiSquare = 4.5669e-06 1.S70 HB3 = 2.9164(S), Expected = 3.85, Std = 0.2700, ChiSquare = 5.4465e-04 1.R92 CB = 37.13073(S), Expected = 30.70, Std = 1.8300, ChiSquare = 4.4131e-04 1.V107 HG11 = -0.16496(S), Expected = 0.83, Std = 0.2600, ChiSquare = 1.2984e-04 1.V107 HG12 = -0.16496(S), Expected = 0.83, Std = 0.2600, ChiSquare = 1.2984e-04 1.V107 HG13 = -0.16496(S), Expected = 0.83, Std = 0.2600, ChiSquare = 1.2984e-04 1.T115 HG21 = 0.11432(S), Expected = 1.14, Std = 0.2300, ChiSquare = 8.2159e-06 1.T115 HG22 = 0.11432(S), Expected = 1.14, Std = 0.2300, ChiSquare = 8.2159e-06 1.T115 HG23 = 0.11432(S), Expected = 1.14, Std = 0.2300, ChiSquare = 8.2159e-06 1.P116 HD2 = 1.48802(S), Expected = 3.65, Std = 0.3500, ChiSquare = 6.5296e-10 1.P116 SRO Rule Break>> HD2 > HG2 : 0.993449781659389 1.P116 SRO Rule Break>> HD2 > HG3 : 0.994893221912721 1.L130 HB2 = 0.43217(S), Expected = 1.61, Std = 0.3400, ChiSquare = 5.3180e-04 1.L130 HD11 = -0.4329(S), Expected = 0.75, Std = 0.2800, ChiSquare = 2.3932e-05 1.L130 HD12 = -0.4329(S), Expected = 0.75, Std = 0.2800, ChiSquare = 2.3932e-05 1.L130 HD13 = -0.4329(S), Expected = 0.75, Std = 0.2800, ChiSquare = 2.3932e-05