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.A2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H4 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H5 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H6 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H7 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H8 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.V9 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.D10 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.D11 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.D12 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.D13 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.K14 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.M15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> L 0.12 M 0.11 H 0.1 Q 0.09 R 0.09 K 0.08 D 0.07 W 0.06 E 0.06 F 0.05 Y 0.04 N 0.03 A 0.02 S 0.02 C Shift Assignments>> CA :: 55.796 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>> HA :: 4.498 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.G16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.08 C Shift Assignments>> C :: 174.097 CA :: 45.510 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.292 HA2 :: 4.023 HA3 :: 4.026 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.371 Ave N Shift Values>> N :: 109.67(3.87) 1.S17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.869 CA :: 58.125 CB :: 64.221 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.121 HA :: 4.770 HB2 :: 3.606 HB3 :: 3.646 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 :: 115.711 Ave N Shift Values>> N :: 116.28(3.52) 1.K18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.93 A 0.03 R 0.02 HN Overlap>> 1.L103 1.L103 C Shift Assignments>> C :: 175.441 CA :: 55.295 CB :: 35.353 CG :: 23.765 CD :: 28.987 CE :: 41.538 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 :: 8.139 HA :: 4.553 HB2 :: 1.672 HB3 :: 1.672 HG2 :: 1.054 HG3 :: 1.036 HD2 :: 1.353 HD3 :: 1.259 HE2 :: 2.399 HE3 :: 2.391 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 :: 121.189 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.88 R 0.07 G 0.02 A 0.01 C Shift Assignments>> C :: 176.317 CA :: 54.937 CB :: 42.387 CG :: 27.414 CD1 :: 23.969 CD2 :: 24.916 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 :: 8.409 HA :: 4.239 HB2 :: 1.487 HB3 :: 1.465 HG :: 1.461 HD11 :: 0.670 HD12 :: 0.670 HD13 :: 0.670 HD21 :: 0.779 HD22 :: 0.779 HD23 :: 0.779 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 124.253 Ave N Shift Values>> N :: 121.86(3.9) 1.W20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.99 C Shift Assignments>> C :: 175.475 CA :: 58.085 CB :: 29.908 CD1 :: 126.652 CZ2 :: 114.906 CZ3 :: 122.975 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 :: 8.254 HA :: 4.254 HB2 :: 3.294 HB3 :: 2.725 HD1 :: 7.357 HE1 :: 10.680 HE3 :: 7.468 HZ2 :: 7.313 HZ3 :: 6.956 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 :: 124.115 NE1 :: 130.628 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.N21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.62 D 0.18 F 0.06 Y 0.06 L 0.04 C Shift Assignments>> C :: 173.545 CA :: 52.597 CB :: 38.824 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 :: 5.070 HB2 :: 2.841 HB3 :: 2.525 HD21 :: 6.686 HD22 :: 7.488 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 :: 110.301 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.87 R 0.06 G 0.05 C Shift Assignments>> C :: 174.660 CA :: 53.749 CB :: 42.789 CG :: 26.882 CD1 :: 25.320 CD2 :: 24.907 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 :: 8.473 HA :: 4.650 HB2 :: 1.890 HB3 :: 1.737 HG :: 1.746 HD11 :: 1.023 HD12 :: 1.023 HD13 :: 1.023 HD21 :: 0.979 HD22 :: 0.979 HD23 :: 0.979 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 124.756 Ave N Shift Values>> N :: 121.86(3.9) 1.R23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.68 K 0.25 G 0.06 C Shift Assignments>> C :: 175.435 CA :: 54.570 CB :: 31.612 CG :: 27.760 CD :: 43.032 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 :: 8.377 HA :: 4.512 HB2 :: 1.622 HB3 :: 1.622 HG2 :: 1.452 HG3 :: 1.389 HD2 :: 3.110 HD3 :: 3.131 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 123.071 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.N24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.53 Y 0.1 E 0.1 F 0.08 M 0.06 D 0.06 L 0.01 K 0.01 C Shift Assignments>> C :: 173.058 CA :: 53.804 CB :: 37.312 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 :: 8.835 HA :: 3.894 HB2 :: 2.815 HB3 :: 2.684 HD21 :: 6.859 HD22 :: 7.620 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 123.061 ND2 :: 113.558 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.A25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.89 L 0.1 C Shift Assignments>> C :: 176.757 CA :: 50.446 CB :: 21.534 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.543 HA :: 4.519 HB1 :: 1.214 HB2 :: 1.214 HB3 :: 1.214 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.739 Ave N Shift Values>> N :: 123.23(3.54) 1.D26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.3 R 0.19 D 0.17 K 0.16 F 0.07 Y 0.05 N 0.01 G 0.01 C Shift Assignments>> C :: 178.442 CA :: 55.181 CB :: 42.552 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 :: 8.727 HA :: 4.541 HB2 :: 2.751 HB3 :: 2.757 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 :: 121.002 Ave N Shift Values>> N :: 120.65(3.86) 1.I27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 176.144 CA :: 64.823 CB :: 38.475 CG1 :: 29.303 CG2 :: 17.012 CD1 :: 13.945 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 :: 9.109 HA :: 3.763 HB :: 1.492 HG12 :: 1.200 HG13 :: 0.852 HG21 :: 0.672 HG22 :: 0.672 HG23 :: 0.672 HD11 :: 0.467 HD12 :: 0.467 HD13 :: 0.467 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 :: 127.460 Ave N Shift Values>> N :: 121.46(4.28) 1.R28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.78 G 0.11 R 0.1 C Shift Assignments>> C :: 179.018 CA :: 60.122 CB :: 28.415 CG :: 30.202 CD :: 42.582 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 :: 8.486 HA :: 3.808 HB2 :: 1.901 HB3 :: 1.864 HG2 :: 1.723 HG3 :: 1.398 HD2 :: 3.218 HD3 :: 3.329 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 :: 120.492 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.A29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.52 A 0.45 I 0.02 C Shift Assignments>> C :: 180.941 CA :: 54.664 CB :: 17.886 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.482 HA :: 4.288 HB1 :: 1.640 HB2 :: 1.640 HB3 :: 1.640 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.056 Ave N Shift Values>> N :: 123.23(3.54) 1.V30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 177.440 CA :: 66.977 CB :: 31.483 CG1 :: 21.490 CG2 :: 23.752 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 :: 8.005 HA :: 3.511 HB :: 2.105 HG11 :: 0.793 HG12 :: 0.793 HG13 :: 0.793 HG21 :: 0.926 HG22 :: 0.926 HG23 :: 0.926 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 :: 120.203 Ave N Shift Values>> N :: 121.14(4.54) 1.I31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 176.985 CA :: 66.014 CB :: 37.909 CG1 :: 29.799 CG2 :: 18.071 CD1 :: 15.079 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 :: 8.504 HA :: 3.039 HB :: 1.645 HG12 :: 0.668 HG13 :: 0.669 HG21 :: 0.537 HG22 :: 0.537 HG23 :: 0.537 HD11 :: 0.571 HD12 :: 0.571 HD13 :: 0.571 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 119.417 Ave N Shift Values>> N :: 121.46(4.28) 1.A32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.62 A 0.32 I 0.04 C Shift Assignments>> C :: 180.513 CA :: 55.333 CB :: 17.796 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.501 HA :: 4.200 HB1 :: 1.566 HB2 :: 1.566 HB3 :: 1.566 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.393 Ave N Shift Values>> N :: 123.23(3.54) 1.E33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.42 K 0.22 Q 0.21 I 0.09 M 0.04 C Shift Assignments>> C :: 178.643 CA :: 58.738 CB :: 29.467 CG :: 35.296 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 :: 7.746 HA :: 4.485 HB2 :: 2.198 HB3 :: 2.168 HG2 :: 2.460 HG3 :: 2.386 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 :: 120.602 Ave N Shift Values>> N :: 120.67(3.48) 1.V34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 180.552 CA :: 67.137 CB :: 31.076 CG1 :: 22.126 CG2 :: 20.878 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 :: 8.658 HA :: 3.467 HB :: 1.538 HG11 :: 0.358 HG12 :: 0.358 HG13 :: 0.358 HG21 :: 0.355 HG22 :: 0.355 HG23 :: 0.355 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 :: 119.665 Ave N Shift Values>> N :: 121.14(4.54) 1.S35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.648 CA :: 61.620 CB :: 63.425 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.035 HA :: 4.298 HB2 :: 4.228 HB3 :: 4.314 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 :: 118.569 Ave N Shift Values>> N :: 116.28(3.52) 1.R36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.76 K 0.13 G 0.09 C Shift Assignments>> C :: 178.661 CA :: 59.570 CB :: 30.488 CG :: 27.667 CD :: 43.154 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 :: 7.899 HA :: 4.050 HB2 :: 2.025 HB3 :: 2.144 HG2 :: 1.765 HG3 :: 1.565 HD2 :: 3.361 HD3 :: 3.163 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 :: 120.816 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.I37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 177.641 CA :: 63.163 CB :: 38.802 CG1 :: 28.852 CG2 :: 17.771 CD1 :: 12.784 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 :: 7.949 HA :: 3.975 HB :: 1.941 HG12 :: 1.773 HG13 :: 1.572 HG21 :: 1.058 HG22 :: 1.058 HG23 :: 1.058 HD11 :: 1.029 HD12 :: 1.029 HD13 :: 1.029 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 :: 116.648 Ave N Shift Values>> N :: 121.46(4.28) 1.T38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 176.530 CA :: 63.128 CB :: 71.919 CG2 :: 22.146 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 :: 8.268 HA :: 4.298 HB :: 4.101 HG21 :: 1.388 HG22 :: 1.388 HG23 :: 1.388 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 :: 106.206 Ave N Shift Values>> N :: 115.42(4.75) 1.G39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.9 L 0.07 C Shift Assignments>> C :: 174.083 CA :: 45.762 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.224 HA2 :: 3.805 HA3 :: 4.076 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.638 Ave N Shift Values>> N :: 109.67(3.87) 1.K40 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.88 R 0.11 C Shift Assignments>> C :: 174.422 CA :: 55.272 CB :: 33.721 CG :: 25.201 CD :: 28.644 CE :: 41.676 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 :: 7.386 HA :: 3.977 HB2 :: 1.180 HB3 :: 0.888 HG2 :: 1.037 HG3 :: 0.899 HD2 :: 1.159 HD3 :: 1.034 HE2 :: 2.303 HE3 :: 2.124(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 :: 119.476 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.N41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.4 D 0.35 L 0.12 F 0.05 Y 0.04 K 0.01 C Shift Assignments>> C :: 173.382 CA :: 52.134 CB :: 40.285 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 :: 8.370 HA :: 4.722 HB2 :: 2.683 HB3 :: 2.631 HD21 :: 7.381 HD22 :: 6.808 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 :: 120.419 ND2 :: 112.830 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.F42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.26 K 0.22 D 0.15 R 0.14 F 0.11 Y 0.07 N 0.01 C Shift Assignments>> C :: 176.482 CA :: 55.985 CB :: 42.202 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 :: 8.452 HA :: 5.882 HB2 :: 2.825 HB3 :: 2.675 HD1 :: 7.181 HD2 :: 7.181 HE1 :: 7.057 HE2 :: 7.057 HZ :: 6.466 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 :: 119.783 Ave N Shift Values>> N :: 120.45(4.18) 1.V43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 174.802 CA :: 61.922 CB :: 34.121 CG1 :: 21.116 CG2 :: 21.242 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 :: 8.832 HA :: 4.336 HB :: 1.816 HG11 :: 0.940 HG12 :: 0.940 HG13 :: 0.940 HG21 :: 0.940 HG22 :: 0.940 HG23 :: 0.940 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 :: 122.946 Ave N Shift Values>> N :: 121.14(4.54) 1.I44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 175.780 CA :: 61.126 CB :: 39.645 CG1 :: 27.931 CG2 :: 18.172 CD1 :: 14.936 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 :: 9.056 HA :: 4.272 HB :: 1.758 HG12 :: 0.719 HG13 :: 0.721 HG21 :: 0.801 HG22 :: 0.801 HG23 :: 0.801 HD11 :: 0.892 HD12 :: 0.892 HD13 :: 0.892 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 :: 127.355 Ave N Shift Values>> N :: 121.46(4.28) 1.D45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.65 L 0.22 R 0.05 D 0.04 F 0.01 C Shift Assignments>> C :: 174.725 CA :: 53.362 CB :: 44.811 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 :: 8.459 HA :: 4.837 HB2 :: 3.015 HB3 :: 2.890 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 :: 131.614 Ave N Shift Values>> N :: 120.65(3.86) 1.P46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> CA :: 65.015 CB :: 32.344 CG :: 27.522 CD :: 51.235 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 :: 4.405 HB2 :: 1.994 HB3 :: 2.425 HG2 :: 2.070 HG3 :: 2.081 HD2 :: 3.884 HD3 :: 3.720 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.R47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.76 K 0.16 G 0.07 C Shift Assignments>> C :: 177.325 CA :: 57.202 CB :: 31.599 CG :: 27.068 CD :: 43.141 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 :: 9.295 HA :: 4.161 HB2 :: 1.856 HB3 :: 1.716 HG2 :: 1.620 HG3 :: 1.609 HD2 :: 3.192 HD3 :: 3.192 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 :: 116.388 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.V48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 174.516 CA :: 63.581 CB :: 30.017 CG1 :: 19.664 CG2 :: 21.732 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 :: 7.864 HA :: 3.558 HB :: 1.912 HG11 :: -0.016 HG12 :: -0.016 HG13 :: -0.016 HG21 :: 0.668 HG22 :: 0.668 HG23 :: 0.668 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 120.576 Ave N Shift Values>> N :: 121.14(4.54) 1.Q49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.27 K 0.18 R 0.15 H 0.15 W 0.09 E 0.06 Q 0.05 C Shift Assignments>> C :: 174.319 CA :: 54.581 CB :: 32.215 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 :: 7.910 HA :: 4.710 HB2 :: 1.920 HG2 :: 2.258 HE21 :: 7.367 HE22 :: 6.796 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 125.149 NE2 :: 111.168 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.G50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.36 L 0.29 R 0.22 F 0.04 D 0.03 Y 0.02 C Shift Assignments>> C :: 172.205 CA :: 44.199 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.888 HA2 :: 4.669 HA3 :: 3.907 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.444 Ave N Shift Values>> N :: 109.67(3.87) 1.K51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.64 R 0.31 G 0.03 HN Overlap>> 1.S108 1.S108 1.S99 1.S99 C Shift Assignments>> C :: 176.791 CA :: 54.404 CB :: 36.134 CG :: 25.147 CD :: 28.954 CE :: 42.228 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 :: 8.332 HA :: 5.269 HB2 :: 1.284 HB3 :: 1.609 HG2 :: 1.193 HG3 :: 1.368 HD2 :: 1.425 HD3 :: 1.552 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 :: 118.380 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.79 I 0.11 A 0.08 C Shift Assignments>> C :: 174.036 CA :: 59.324 CB :: 36.322 CG1 :: 19.214 CG2 :: 22.482 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 :: 9.150 HA :: 4.782 HB :: 2.094 HG11 :: 0.685 HG12 :: 0.685 HG13 :: 0.685 HG21 :: 0.821 HG22 :: 0.821 HG23 :: 0.821 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 :: 114.284 Ave N Shift Values>> N :: 121.14(4.54) 1.S53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 T 0.01 C Shift Assignments>> C :: 173.311 CA :: 56.994 CB :: 65.648 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.045 HA :: 5.499 HB2 :: 3.850 HB3 :: 3.709 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 :: 114.345 Ave N Shift Values>> N :: 116.28(3.52) 1.I54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 173.023 CA :: 61.215 CB :: 39.409 CG1 :: 27.023 CG2 :: 16.068 CD1 :: 12.622 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 9.014 HA :: 4.109 HB :: 1.909 HG12 :: 1.013 HG13 :: 1.342 HG21 :: 0.379 HG22 :: 0.379 HG23 :: 0.379 HD11 :: 0.536 HD12 :: 0.536 HD13 :: 0.536 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 :: 123.248 Ave N Shift Values>> N :: 121.46(4.28) 1.V55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 175.290 CA :: 59.771 CB :: 35.011 CG1 :: 20.728 CG2 :: 21.267 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 :: 8.246 HA :: 4.596 HB :: 1.883 HG11 :: 0.816 HG12 :: 0.816 HG13 :: 0.816 HG21 :: 0.887 HG22 :: 0.887 HG23 :: 0.887 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 126.206 Ave N Shift Values>> N :: 121.14(4.54) 1.S56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.84 T 0.15 C Shift Assignments>> C :: 173.596 CA :: 56.993 CB :: 66.634 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.180 HA :: 4.995 HB2 :: 4.317 HB3 :: 3.943 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 120.621 Ave N Shift Values>> N :: 116.28(3.52) 1.S57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 173.777 CA :: 58.846 CB :: 63.671 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> HA :: 4.599 HB2 :: 4.041 HB3 :: 3.923 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.T58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.98 A 0.01 C Shift Assignments>> C :: 172.197 CA :: 58.576 CB :: 69.902 CG2 :: 21.254 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 :: 7.693 HA :: 4.805 HB :: 4.227 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 :: 113.903 Ave N Shift Values>> N :: 115.42(4.75) 1.P59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> CA :: 63.288 CB :: 31.996 CG :: 28.132 CD :: 51.135 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 :: 4.181 HB2 :: 1.912 HB3 :: 1.778 HG2 :: 2.115 HG3 :: 2.114 HD2 :: 3.681 HD3 :: 3.828 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.L60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.61 L 0.31 A 0.06 C Shift Assignments>> C :: 177.733 CA :: 53.188 CB :: 45.070 CG :: 26.251 CD1 :: 26.141 CD2 :: 23.000 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 :: 8.671 HA :: 4.987 HB2 :: 1.922 HB3 :: 1.515 HG :: 2.041 HD11 :: 0.740 HD12 :: 0.740 HD13 :: 0.740 HD21 :: 0.847 HD22 :: 0.847 HD23 :: 0.847 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 123.640 Ave N Shift Values>> N :: 121.86(3.9) 1.S61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.772 CA :: 57.470 CB :: 64.958 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.366 HA :: 4.747 HB2 :: 4.022 HB3 :: 4.431 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 121.297 Ave N Shift Values>> N :: 116.28(3.52) 1.S62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.767 CA :: 62.638 CB :: 62.734 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.260 HA :: 3.950 HB2 :: 4.092 HB3 :: 4.090 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 :: 117.334 Ave N Shift Values>> N :: 116.28(3.52) 1.R63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.8 G 0.09 K 0.09 C Shift Assignments>> C :: 179.204 CA :: 59.432 CB :: 30.331 CG :: 27.355 CD :: 43.173 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 :: 8.210 HA :: 4.171 HB2 :: 1.902 HB3 :: 1.818 HG2 :: 1.634 HG3 :: 1.767 HD2 :: 3.221 HD3 :: 3.221 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 :: 120.960 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.E64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.67 I 0.17 M 0.12 K 0.01 C Shift Assignments>> C :: 179.152 CA :: 58.940 CB :: 30.889 CG :: 37.183 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 :: 7.728 HA :: 4.067 HB2 :: 2.317 HB3 :: 2.052 HG2 :: 2.328 HG3 :: 2.327 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 :: 120.462 Ave N Shift Values>> N :: 120.67(3.48) 1.L65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.83 A 0.14 C Shift Assignments>> C :: 178.202 CA :: 57.122 CB :: 40.595 CG :: 27.406 CD1 :: 21.448 CD2 :: 24.579 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.057 HA :: 3.814 HB2 :: 1.974 HB3 :: 1.540 HG :: 1.266 HD11 :: -0.001 HD12 :: -0.001 HD13 :: -0.001 HD21 :: 0.449 HD22 :: 0.449 HD23 :: 0.449 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 :: 120.671 Ave N Shift Values>> N :: 121.86(3.9) 1.Y66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 176.337 CA :: 62.608 CB :: 37.945 CD1 :: 132.678 CD2 :: 132.678 CE1 :: 118.238 CE2 :: 118.238 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.014 HA :: 4.058 HB2 :: 3.174 HB3 :: 3.118 HD1 :: 7.022 HD2 :: 7.022 HE1 :: 6.894 HE2 :: 6.894 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 :: 118.477 Ave N Shift Values>> N :: 120.52(4.2) 1.Q67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.37 K 0.36 R 0.13 E 0.06 I 0.03 M 0.02 C Shift Assignments>> C :: 179.404 CA :: 58.791 CB :: 28.161 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 :: 7.441 HA :: 3.938 HB2 :: 2.256 HB3 :: 2.255 HG2 :: 2.581 HG3 :: 2.582 HE21 :: 6.953 HE22 :: 7.645 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 115.003 NE2 :: 112.495 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.V68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 178.161 CA :: 66.583 CB :: 31.716 CG1 :: 21.287 CG2 :: 23.101 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 :: 8.215 HA :: 3.686 HB :: 2.102 HG11 :: 0.880 HG12 :: 0.880 HG13 :: 0.880 HG21 :: 1.071 HG22 :: 1.071 HG23 :: 1.071 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 :: 122.003 Ave N Shift Values>> N :: 121.14(4.54) 1.F69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.99 C Shift Assignments>> C :: 175.843 CA :: 60.344 CB :: 38.446 CD1 :: 132.304 CD2 :: 132.304 CE1 :: 130.214 CE2 :: 130.214 CZ :: 129.787 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 :: 8.859 HA :: 3.983 HB2 :: 3.279 HB3 :: 2.733 HD1 :: 6.777 HD2 :: 6.777 HE1 :: 6.742 HE2 :: 6.742 HZ :: 6.470 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 :: 121.144 Ave N Shift Values>> N :: 120.45(4.18) 1.L70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.95 R 0.02 A 0.01 C Shift Assignments>> C :: 180.269 CA :: 58.066 CB :: 41.513 CG :: 26.130 CD1 :: 25.573 CD2 :: 22.338 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 :: 8.275 HA :: 3.461 HB2 :: 1.774 HB3 :: 1.253 HG :: 1.347 HD11 :: 0.732 HD12 :: 0.732 HD13 :: 0.732 HD21 :: 0.658 HD22 :: 0.658 HD23 :: 0.658 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 :: 118.664 Ave N Shift Values>> N :: 121.86(3.9) 1.S71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.434 CA :: 61.923 CB :: 62.815 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.674 HA :: 4.269 HB2 :: 4.069 HB3 :: 4.073 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 :: 115.956 Ave N Shift Values>> N :: 116.28(3.52) 1.V72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.K107 1.Q98 1.K107 1.Q98 C Shift Assignments>> C :: 179.548 CA :: 65.926 CB :: 31.446 CG1 :: 22.508 CG2 :: 20.839 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 :: 8.353 HA :: 3.802 HB :: 2.179 HG11 :: 1.108 HG12 :: 1.108 HG13 :: 1.108 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 :: 122.437 Ave N Shift Values>> N :: 121.14(4.54) 1.L73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.98 C Shift Assignments>> C :: 178.760 CA :: 58.458 CB :: 40.559 CG :: 26.393 CD1 :: 25.522 CD2 :: 22.719 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 :: 8.345 HA :: 3.718 HB2 :: 1.552 HB3 :: 1.147 HG :: 0.988 HD11 :: 0.217 HD12 :: 0.217 HD13 :: 0.217 HD21 :: 0.287 HD22 :: 0.287 HD23 :: 0.287 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 :: 121.570 Ave N Shift Values>> N :: 121.86(3.9) 1.Q74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.36 K 0.35 R 0.12 E 0.07 I 0.05 M 0.02 C Shift Assignments>> C :: 180.731 CA :: 59.279 CB :: 28.150 CG :: 33.802 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 :: 7.806 HA :: 4.319 HB2 :: 2.280 HB3 :: 2.278 HG2 :: 2.399 HG3 :: 2.492 HE21 :: 7.361 HE22 :: 6.803 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 :: 118.880 NE2 :: 111.028 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.V75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 177.567 CA :: 65.343 CB :: 31.656 CG1 :: 22.219 CG2 :: 21.194 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 :: 8.030 HA :: 3.883 HB :: 2.278 HG11 :: 1.052 HG12 :: 1.052 HG13 :: 1.052 HG21 :: 1.142 HG22 :: 1.142 HG23 :: 1.142 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 :: 119.122 Ave N Shift Values>> N :: 121.14(4.54) 1.S76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.704 CA :: 59.606 CB :: 63.783 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.513 HA :: 4.446 HB2 :: 4.142 HB3 :: 3.985 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 :: 114.366 Ave N Shift Values>> N :: 116.28(3.52) 1.G77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 L 0.12 R 0.02 F 0.01 C Shift Assignments>> C :: 173.987 CA :: 45.118 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.537 HA2 :: 3.622 HA3 :: 3.902 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.828 Ave N Shift Values>> N :: 109.67(3.87) 1.Y78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 172.930 CA :: 56.614 CB :: 41.508 CE1 :: 118.691 CE2 :: 118.691 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.237 HA :: 5.171 HB2 :: 2.816 HB3 :: 2.282 HD1 :: 6.667 HD2 :: 6.667 HE1 :: 6.667 HE2 :: 6.667 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 :: 120.288 Ave N Shift Values>> N :: 120.52(4.2) 1.A79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.68 L 0.29 C Shift Assignments>> C :: 174.311 CA :: 50.336 CB :: 22.388 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.075 HA :: 4.537 HB1 :: 1.273 HB2 :: 1.273 HB3 :: 1.273 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.952 Ave N Shift Values>> N :: 123.23(3.54) 1.A80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.97 M 0.01 C Shift Assignments>> C :: 176.675 CA :: 49.807 CB :: 20.087 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.257 HA :: 5.332 HB1 :: 1.091 HB2 :: 1.091 HB3 :: 1.091 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.616 Ave N Shift Values>> N :: 123.23(3.54) 1.I81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.8 A 0.19 C Shift Assignments>> C :: 174.357 CA :: 56.808 CB :: 39.807 CG1 :: 26.363 CG2 :: 17.055 CD1 :: 11.984 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 :: 9.516 HA :: 4.776 HB :: 2.004 HG12 :: 1.456 HG13 :: 1.277 HG21 :: 0.926 HG22 :: 0.926 HG23 :: 0.926 HD11 :: 0.815 HD12 :: 0.815 HD13 :: 0.815 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 124.897 Ave N Shift Values>> N :: 121.46(4.28) 1.P82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> CA :: 63.237 CB :: 32.316 CG :: 27.639 CD :: 51.417 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 :: 4.725 HB2 :: 2.056 HB3 :: 2.304 HG2 :: 2.266 HG3 :: 1.987 HD2 :: 3.871 HD3 :: 4.020 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.N83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.4 D 0.33 L 0.11 F 0.07 Y 0.05 C Shift Assignments>> C :: 174.793 CA :: 52.808 CB :: 39.992 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 :: 8.874 HA :: 4.844 HB2 :: 2.773 HB3 :: 2.582 HD21 :: 6.934 HD22 :: 7.343 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 123.499 ND2 :: 111.249 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.G84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.92 L 0.05 C Shift Assignments>> C :: 175.015 CA :: 46.938 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.854 HA2 :: 4.057 HA3 :: 3.637 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 114.152 Ave N Shift Values>> N :: 109.67(3.87) 1.E85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.63 M 0.11 K 0.1 Q 0.07 I 0.06 C Shift Assignments>> C :: 175.877 CA :: 56.767 CB :: 30.001 CG :: 36.395 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 :: 9.113 HA :: 4.310 HB2 :: 2.253 HB3 :: 1.895 HG2 :: 2.284 HG3 :: 2.239 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 :: 126.317 Ave N Shift Values>> N :: 120.67(3.48) 1.I86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.93 A 0.04 G 0.01 C Shift Assignments>> C :: 174.662 CA :: 58.834 CB :: 41.566 CG1 :: 27.395 CG2 :: 19.661 CD1 :: 14.388 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 :: 7.632 HA :: 4.634 HB :: 1.844 HG12 :: 1.498 HG13 :: 1.203 HG21 :: 0.807 HG22 :: 0.807 HG23 :: 0.807 HD11 :: 0.822 HD12 :: 0.822 HD13 :: 0.822 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 :: 116.672 Ave N Shift Values>> N :: 121.46(4.28) 1.I87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 174.997 CA :: 60.290 CB :: 39.305 CG1 :: 27.749 CG2 :: 18.720 CD1 :: 13.568 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.345 HA :: 4.374 HB :: 1.758 HG12 :: 0.898 HG13 :: 1.351 HG21 :: 0.873 HG22 :: 0.873 HG23 :: 0.873 HD11 :: 0.691 HD12 :: 0.691 HD13 :: 0.691 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 :: 124.585 Ave N Shift Values>> N :: 121.46(4.28) 1.K88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.8 R 0.19 C Shift Assignments>> C :: 175.602 CA :: 55.136 CB :: 34.102 CG :: 25.596 CD :: 29.347 CE :: 41.624 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 :: 8.782 HA :: 5.172 HB2 :: 1.824 HB3 :: 1.720 HG2 :: 1.319 HG3 :: 1.435 HD2 :: 1.691 HD3 :: 1.691 HE2 :: 2.841 HE3 :: 2.840 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 :: 128.581 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.98 C Shift Assignments>> C :: 175.214 CA :: 59.043 CB :: 37.630 CG1 :: 26.937 CG2 :: 17.594 CD1 :: 12.223 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 :: 8.730 HA :: 5.316 HB :: 1.864 HG12 :: 1.422 HG13 :: 1.304 HG21 :: 0.647 HG22 :: 0.647 HG23 :: 0.647 HD11 :: 0.649 HD12 :: 0.649 HD13 :: 0.649 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 :: 124.500 Ave N Shift Values>> N :: 121.46(4.28) 1.I90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.86 A 0.12 C Shift Assignments>> C :: 173.063 CA :: 57.960 CB :: 41.458 CG1 :: 25.624 CG2 :: 18.234 CD1 :: 14.086 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 :: 8.600 HA :: 4.950 HB :: 1.940 HG12 :: 1.443 HG13 :: 0.972 HG21 :: 0.993 HG22 :: 0.993 HG23 :: 0.993 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 :: 120.223 Ave N Shift Values>> N :: 121.46(4.28) 1.P91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> CA :: 63.363 CB :: 32.077 CG :: 28.602 CD :: 50.714 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 :: 4.745 HB2 :: 1.890 HB3 :: 2.457 HG2 :: 2.081 HG3 :: 1.876 HD2 :: 3.528 HD3 :: 3.755 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.N92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.91 D 0.08 C Shift Assignments>> C :: 175.830 CA :: 53.685 CB :: 38.373 CG :: 175.493 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 :: 8.538 HA :: 4.477 HB2 :: 2.547 HB3 :: 2.425 HD21 :: 7.532 HD22 :: 6.723 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 :: 122.234 ND2 :: 110.774 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.I93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 175.782 CA :: 61.675 CB :: 38.809 CG1 :: 27.245 CG2 :: 17.510 CD1 :: 13.390 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 :: 7.953 HA :: 4.107 HB :: 1.867 HG12 :: 1.163 HG13 :: 1.419 HG21 :: 0.884 HG22 :: 0.884 HG23 :: 0.884 HD11 :: 0.866 HD12 :: 0.866 HD13 :: 0.866 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 :: 120.085 Ave N Shift Values>> N :: 121.46(4.28) 1.D94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 L 0.25 K 0.14 F 0.1 N 0.08 Y 0.07 R 0.02 C Shift Assignments>> C :: 176.122 CA :: 54.514 CB :: 41.326 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 :: 8.035 HA :: 4.644 HB2 :: 2.742 HB3 :: 2.542 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 :: 122.983 Ave N Shift Values>> N :: 120.65(3.86) 1.A95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.83 M 0.15 C Shift Assignments>> C :: 177.853 CA :: 53.161 CB :: 19.044 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.010 HA :: 4.206 HB1 :: 1.374 HB2 :: 1.374 HB3 :: 1.374 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.282 Ave N Shift Values>> N :: 123.23(3.54) 1.K96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.77 R 0.21 C Shift Assignments>> C :: 177.085 CA :: 56.665 CB :: 32.752 CG :: 24.718 CD :: 28.864 CE :: 41.919 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 :: 8.207 HA :: 4.329 HB2 :: 1.841 HB3 :: 1.820 HG2 :: 1.459 HG3 :: 1.419 HD2 :: 1.681 HD3 :: 1.681 HE2 :: 3.007 HE3 :: 3.008 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 119.061 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.T97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.427 CA :: 62.184 CB :: 69.657 CG2 :: 21.826 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 :: 7.968 HA :: 4.298 HB :: 4.210 HG1 :: 1.194 HG21 :: 1.188 HG22 :: 1.188 HG23 :: 1.188 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 :: 114.091 Ave N Shift Values>> N :: 115.42(4.75) 1.Q98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.42 K 0.32 M 0.13 E 0.08 R 0.02 HN Overlap>> 1.K107 1.K107 1.V72 1.V72 C Shift Assignments>> C :: 175.528 CA :: 55.486 CB :: 29.715 CG :: 33.757 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 :: 8.270 HA :: 4.382 HB2 :: 2.113 HB3 :: 1.967 HG2 :: 2.357 HG3 :: 2.360 HE21 :: 6.822 HE22 :: 7.510 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 122.372 NE2 :: 112.426 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.S99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.S108 1.K51 1.S108 1.K51 C Shift Assignments>> C :: 173.171 CA :: 56.498 CB :: 63.492 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.344 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 :: 118.393 Ave N Shift Values>> N :: 116.28(3.52) 1.P100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.89 R 0.06 K 0.01 Q 0.01 C Shift Assignments>> CB :: 32.114 CG :: 27.330 CD :: 50.871 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 :: 4.419 HB2 :: 2.372 HB3 :: 2.284 HG2 :: 2.042 HG3 :: 1.954 HD2 :: 3.822 HD3 :: 3.691 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.D101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 L 0.22 F 0.12 N 0.11 Y 0.09 K 0.09 C Shift Assignments>> C :: 176.622 CA :: 54.687 CB :: 40.890 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 :: 8.324 HA :: 4.554 HB2 :: 2.588 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 :: 119.258 Ave N Shift Values>> N :: 120.65(3.86) 1.L102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.91 R 0.04 A 0.02 G 0.01 C Shift Assignments>> C :: 177.827 CA :: 55.654 CB :: 42.147 CG :: 26.994 CD1 :: 23.441 CD2 :: 24.895 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 :: 8.057 HA :: 4.300 HB2 :: 1.685 HB3 :: 1.685 HG :: 1.626 HD11 :: 0.940 HD12 :: 0.940 HD13 :: 0.940 HD21 :: 0.860 HD22 :: 0.860 HD23 :: 0.860 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.298 Ave N Shift Values>> N :: 121.86(3.9) 1.L103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.9 R 0.04 A 0.03 G 0.01 HN Overlap>> 1.K18 1.K18 C Shift Assignments>> C :: 177.901 CA :: 55.480 CB :: 42.015 CG :: 27.025 CD1 :: 23.289 CD2 :: 24.968 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 :: 8.126 HA :: 4.362 HB2 :: 1.636 HB3 :: 1.735 HG :: 1.639 HD11 :: 0.931 HD12 :: 0.931 HD13 :: 0.931 HD21 :: 0.871 HD22 :: 0.871 HD23 :: 0.871 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 :: 121.183 Ave N Shift Values>> N :: 121.86(3.9) 1.S104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.307 CA :: 59.226 CB :: 63.696 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.094 HA :: 4.350 HB2 :: 3.897 HB3 :: 3.897 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 :: 115.434 Ave N Shift Values>> N :: 116.28(3.52) 1.G105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.08 C Shift Assignments>> C :: 174.208 CA :: 45.445 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.318 HA2 :: 3.969 HA3 :: 3.966 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.321 Ave N Shift Values>> N :: 109.67(3.87) 1.M106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.69 Q 0.25 K 0.02 E 0.02 C Shift Assignments>> C :: 176.077 CA :: 55.592 CB :: 32.975 CG :: 32.020 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 :: 8.039 HA :: 4.459 HB2 :: 2.090 HB3 :: 2.024 HG2 :: 2.600 HG3 :: 2.534 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 119.579 Ave N Shift Values>> N :: 120.09(3.57) 1.K107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.81 R 0.17 HN Overlap>> 1.Q98 1.V72 1.Q98 1.V72 C Shift Assignments>> C :: 176.314 CA :: 56.037 CB :: 33.103 CG :: 24.785 CD :: 28.874 CE :: 41.910 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 :: 8.314 HA :: 4.375 HB2 :: 1.853 HB3 :: 1.762 HG2 :: 1.462 HG3 :: 1.429 HD2 :: 1.686 HD3 :: 1.686 HE2 :: 2.994 HE3 :: 2.994 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 :: 122.469 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.S108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.K51 1.S99 1.K51 1.S99 C Shift Assignments>> C :: 171.882 CA :: 56.476 CB :: 63.156 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.306 HA :: 4.735 HB2 :: 3.763 HB3 :: 3.880 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 :: 118.438 Ave N Shift Values>> N :: 116.28(3.52) 1.P109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> CA :: 63.371 CB :: 31.869 CG :: 27.331 CD :: 51.106 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 :: 4.421 HB2 :: 2.289 HB3 :: 1.948 HG2 :: 2.039 HG3 :: 2.039 HD2 :: 3.675 HD3 :: 3.825 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.P110 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.R111 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.99 C Shift Assignments>> C :: 177.716 CA :: 63.009 CB :: 31.880 CG :: 27.309 CD :: 50.533(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 :: 7.937 HA :: 4.419 HB2 :: 2.288 HB3 :: 1.964 HG2 :: 2.038 HG3 :: 2.038 HD2 :: 3.669 HD3 :: 3.825 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 :: 126.155 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) ########################################################################### Overall Results: #Consistent: 109 #Clerical: 0 #Suspicious: 1 #Anomalous: 0 #Mistyped: 1 #Indeterminable: 0 Typing Results: #Consistent: 95 #Suspicious: 0 #Mistyped: 1 #Indeterminable: 15 Shift Relative Order (SRO) Results: #Consistent: 111 #Suspicious: 0 C Shift Results: #Consistent: 414 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 H Shift Results: #Consistent: 693 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 N Shift Results: #Consistent: 97 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.K40 HE3 = 2.124(S), Expected = 2.91, Std = 0.2000, ChiSquare = 8.4946e-05 1.R111 Typing: Mistyped 1.R111 CD = 50.533(S), Expected = 43.16, Std = 0.8800, ChiSquare = 5.3648e-17